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Journal articles on the topic 'Benzène (C6H6)'

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Published: 4 June 2021

Last updated: 1 February 2022

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1

Chaudhuri, Chanchal, Chih-Che Wu, Jyh-Chiang Jiang, and Huan-Cheng Chang. "Comparative Studies of H+(C6H6)(H2O)1,2 and H+(C5H5N)(H2O)1,2 by DFT Calculations and IR Spectroscopy." Australian Journal of Chemistry 57, no. 12 (2004): 1153. http://dx.doi.org/10.1071/ch04082.

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Protonated benzene–water and pyridine–water complexes have been investigated by density functional theory (DFT) calculations and infrared (IR) spectroscopy. The calculations performed at the B3LYP/6–31+G* level predict that there exist several stable isomers for H+(C6H6)(H2O)1,2 with two distinct ion cores, C6H7+ and H3O+. In contrast, only the C5H5NH+-centred form can be found for H+(C5H5N)(H2O)1,2, arising from the higher proton affinity of pyridine compared to that of benzene and water. Vibrational predissociation spectroscopic measurements of H+(C6H6)(H2O)2 and H+(C5H5N)(H2O)2 support the predictions.

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2

Brownridge, Scott, Jack Passmore, and Xiaoping Sun. "The electrophilic substitution reaction of the dithionitronium cation [SNS]+ with benzene." Canadian Journal of Chemistry 76, no. 8 (August 1, 1998): 1220–31. http://dx.doi.org/10.1139/v98-148.

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The compound [SNS]+([SNS][AsF6]) reacts with benzene in liquid sulfur dioxide to give orange-, blue-, and then purple-colored solutions. The assignment of the orange color to a molecule-ion charge-transfer complex [C6H6·SNS]+ is supported by the linear dependence of the ionization potential of the arenes (C6H6, C6HMe5, C6H5But, C6HMe5) and the energy of the charge-transfer absorption of freshly prepared arene-[SNS][AsF6] mixtures in liquid SO2 solution. Variable-temperature multinuclear NMR studies of the reactions of [SNS][AsF6] and [SNS][Sb2F11] with benzene are consistent with the blue color being due to a sulfur protonated substitution product [C6H5(S2N)H]+, providing the first example of a CH electrophilic substitution reaction of SNS+. The geometries calculated at the RHF/6-31G' level for [C6H5(SNS)H]+, the isomeric [C6H5NSSH]+, and [C6H5N(S)SH]+, together with NMR data, support [C6H5(SNS)H]+(i.e., suggest S, not N, is attached to the ring) as the structure of the cation. The electrophilic aromatic substitution reaction of [SNS]+ and benzene is also supported by NMR studies of [SNS][AsF6] and other arenes (e.g., C6HMe5) in SO2 solution. The UV-visible spectrum of [SNS]+ ([SNS][AsF6]) in liquid SO2 is reported, and the absorption ( lamda = 406 nm, epsilon = 80) responsible for the yellow color is assigned to the [SNS]+ HOMO-LUMO transition. Evidence is also presented for the formation of a molecule-ion charge-transfer complex between 5-methyl-1,3,2,4-dithiadiazolium and hexamethylbenzene in liquid SO2, the first dithiadiazolium charge-transfer complex.Key words: UV-visible, charge transfer, dithionitronium, benzene, electrophilic substitution.

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3

Hossain, M. I., D. Debnath, M. Younis, M. A. Bari, and M. A. J. Miah. "Synthesis and Characterization of Poly(aryleneethynylene)s and Their Corresponding Platinum-Linked Polymers." Journal of Scientific Research 3, no. 3 (August 29, 2011): 587–97. http://dx.doi.org/10.3329/jsr.v3i3.7293.

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A series of thermally stable organic polymers [poly(2,5-diethynylpyridine] (5), [poly(1,4- diethynyl benzene)] (6), [poly(2,5-dialkyl-p-phenyleneethynylene)] (7), and [poly(p,p-diethynylbiphenyl)] (8), were synthesized by the reaction between diterminal aryleneethynylene, [HCCArCCH] {Ar = C5H5N (1); Ar = C6H6 (2); Ar = C6H4(CH3)2 (3); Ar = C6H4-C6H4 (4)} and CuCl in pyridine by Hay’s oxidative coupling method. Then the organometallic polymers [Ph (PnBu3)2Pt-C≡C-(Ar-C≡C-C≡C)n-Pt((PnBu3)2Ph] {Ar = C5H5N (9); Ar = C6H6 (10); Ar = C6H4(CH3)2 (11); Ar = C6H4-C6H4 (12)} were synthesized by the reaction of organic polymers 5, 6, 7 and 8 with metal precursor (PnBu3)2 PtPhCl in diethylisopropileamine with good yield. These metal-linked polymers were characterized by IR, 1H-NMR, 13C-NMR and 31P-NMR spectra. Finally the molecular weight of the organometallic polymers (9, 10, 11 and 12) was determined by gel permeation chromatography (GPC). It is clearly observed from GPC that the polymers were synthesized with different degree of polymerization. Keywords: Organometallic polymers; Hay’s Oxidative coupling; GPC. © 2011 JSR Publications. ISSN: 2070-0237 (Print); 2070-0245 (Online). All rights reserved. doi: 10.3329/jsr.v3i3.7293 J. Sci. Res. 3 (3), 587-597 (2011)

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4

Brune, Hans-Albert, Reinhard Hemmer, Josef Unsin, Konrad Holl, and Ulf Thewalt. "Molekülstruktur von {[P(C6H5)3]2RhOH}2· 2 C6H6 / The Molecular Structure of {[P(C6H5)3]2RhOH}2· 2 C6H6." Zeitschrift für Naturforschung B 43, no. 4 (April 1, 1988): 487–90. http://dx.doi.org/10.1515/znb-1988-0418.

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AbstractThe dinuclear Rhodium(I) complex Bis(μ-hydroxo)bis(bistriphenylphosphane-rhodium) forms during the HRh(PPh3)2 catalyzed hydrogenation of Schiff bases by isopropanol. It can be isolated from benzene solution as a crystalline solvate of composition {[P(C6H5)3]2RhOH}2·2 C6H6 (1). The complex contains a four-membered ring with bridging hydroxo groups. Crystals of 1 are triclinic, space group P1̄ with a = 12.570(3), b = 12.850(4), c = 13.982(3) Å, α = 116.23(3), β = 115.08(3), γ = 90.89(3)°, and Z = 1.

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5

Chrostowska, Anna, Genevieve Pfister-Guillouzo, Françoise Gracian, and Curt Wentrup. "Pitfalls in the Photoelectron Spectroscopic Investigations of Benzyne. Photoelectron Spectrum of Cyclopentadienylideneketene." Australian Journal of Chemistry 63, no. 7 (2010): 1084. http://dx.doi.org/10.1071/ch09641.

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The 9.24 eV ionization energy often quoted in photoelectron spectroscopic investigations of benzyne is not due to benzyne 1 but to benzene, C6H6. The 8.9 eV ionization is not due to benzyne either but to cyclopentadienylideneketene 12 when a 10.2 eV band is also present, or to biphenylene 5 when a 7.6 eV band is simultaneously present. Cyclopentadienylideneketene 12 has been generated by flash vacuum thermolysis of four different precursors, which permit a linking of infrared, mass, and photoelectron spectroscopic observations.

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6

Herberhold, Max, Thomas Hofmann, Stefanie Weinberger, and Bernd Wrackmeyer. "Silyl Derivatives of the Mixed Sandwiches Cyclopentadienyl Manganese Benzene and Cyclopentadienyl Manganese Biphenyl, CpMn(C6H6) and CpMn(C6H5-Ph)." Zeitschrift für Naturforschung B 52, no. 9 (September 1, 1997): 1037–42. http://dx.doi.org/10.1515/znb-1997-0903.

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Mixed manganese sandwich complexes containing a silyl-substituted cyclopentadienyl ring, e. g. (η5 - C5H4 - R)Mn(η6- C6H6) (3a - c) and (η5- C5H4 - R)Mn(η6- C6H5 - Ph) (4a - c); (R = SiMe3 (a), Si2Me5 (b) and SiMe2tBu (c)), were obtained in low yield via intermediates {(η5 - C5H4 - R)MnCl} and their reaction with phenyl Grignard reagents. Use of the 4-trimethylsilyl-phenyl magnesium halide in the reaction with the intermediate {CpMnCl} led to complexes with silylsubstituted arene rings, CpMn(η6 - C6H5 - R′) (5a) and CpMn(η6 -R′ - C6H5 - C6H5 - R′) (6a); (R′ = SiMe3 (a)). Dilithiation of CpMn6H6) (1) and subsequent reaction with a chlorosilane gave (η5-C5H4 - R)Mn(η6 - C6H5 - R′) (7a,b); (R = R′ = SiMe3 (a), Si2Me5 (b)). A cyclophane 8 in which five- and six-membered ring are linked through a -Me2Si-SiMe2- bridge was obtained using 1,2-dichloro-tetramethyldisilane. The mixed manganese sandw ich complexes were thoroughly characterized by 1H , 13C, 29Si and 55Mn NMR spectroscopy. The 55Mn spectra can be used to detect low-yield side-products.

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7

Ghiasi, Reza, Saeedeh Hashemian, and Oranoos Irajee. "Structure and Bonding of Ni(C6H4-nFn)(CO)2(C6H4=benzyne, n=1-4) Complexes." Journal of the Korean Chemical Society 55, no. 2 (April 20, 2011): 183–88. http://dx.doi.org/10.5012/jkcs.2011.55.2.183.

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8

Jones, P. G. "Benzoato(triphenylphosphine)gold(I) benzene solvate, [Au(C7H5O2){P(C6H5)3}].C6H6." Acta Crystallographica Section C Crystal Structure Communications 41, no. 6 (June 15, 1985): 905–6. http://dx.doi.org/10.1107/s0108270185005947.

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9

Gotch, Albert J., R. Nathan Pribble, Frederick A. Ensminger, and Timothy S. Zwier. "The Spectroscopy and Photophysics of π Hydrogen-Bonded Complexes: Benzene–CHCl3." Laser Chemistry 13, no. 3-4 (January 1, 1994): 187–205. http://dx.doi.org/10.1155/1994/41604.

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A vibronic level study of the spectroscopy and photophysics of the C6H6–CHCl3 complex has been carried out using a combination of laser-induced fluorescence and resonant two-photon ionization (R2PI). In C6H6-CHCl3, the S1–S0 origin remains forbidden while the 1610 transition is weakly induced. Neither 610 nor 1610 are split by the presence of the CHCl3 molecule. On this basis, a C3vstructure is deduced for the complex, placing CHCl3 on the six-fold axis of benzene. The large blue-shift of the complex’s absorption relative to benzene (+178 cm–1) and the efficient fragmentation of the complex following one-color R2PI reflect a hydrogen-bonded orientation for CHCl3 relative to benzene’ π cloud. Dispersed fluorescence scans place a firm upper bound on the ground state binding energy of the complex of 2,024 cm–1. Both the 61and 61 11 levels do not dissociate on the time-scale of the S1 fluorescence and show evidence of extensive state mixing with van der Waals’ levels primarily built on the 00 level of benzene. The C6H6–(CHCl3)2 cluster shows extensive intermolecular structure beginning at +84 cm–1, a strong origin transition, and splitting of 61. A structure which places both CHCl3 molecules on the same side of the benzene ring is suggested on this basis. The vibronic level scheme used to deduce the structure of C6H6–CHCl3 is tested against previous data on other C6H6–X complexes. The scheme is found to be capable, in favorable cases, of deducing the structures of C6H6–X complexes based purely on vibronic level data. Finally, the results on C6H6–CHCl3 are compared with those on C6H6–HCl and C6H6-H2O to evaluate the characteristics of the n hydrogen bond.

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10

Bock, Hans, Claudia Arad, Christian Näther, Ilka Göbel, and Andreas John. "Strukturen ladungsgestörter oder räumlich überfüllter Moleküle, 108 [1] Strukturänderungen bei der Zweifach-Reduktion von Tetraphenyl-p-chinodimethan zu seinem Dianion / Structures of Charge-Perturbed or Sterically Overcrowded Molecules, 108 [1] Structural Changes of Tetraphenyl-p-quinodim ethane on Twofold Reduction to its Dianion." Zeitschrift für Naturforschung B 51, no. 10 (October 1, 1996): 1391–99. http://dx.doi.org/10.1515/znb-1996-1004.

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The two-electron reduction of tetraphenyl-p-quinodimethane M via its radical anion M⊖ to its dianion M⊖⊖ is explored both by cyclovoltammetry and ESR/ENDOR spectroscopy. Contact of the diglyme solution with added 15-crown-5 under aprotic conditions with a sodium metal mirror yields black crystals of a solvent-separated contact ion triple [M⊖⊖][Na⊕(OCH2CH2)5(H3CO(CH2CH2O)2CH3)]2. The two-electron-insertion into the pquinodimethane derivative R2C⊖=C(HC=CH)2C=CR2 changes its structure drastically to that of a twofold carbanion substituted benzene, R2C⊖ -(C6H4)- ⊖CR2. MNDO calculations provide a rationale for both the tremendous solvation of a Na⊕ center coordinated to seven oxygen centers of 15-crown-5 and of one diglyme molecule and the structural changes as well as the charge distribution in the unique Tetraphenyl-p-quinodimethane dianion (H5C6)2C⊖-(C6H4)- ⊖C(C6H5)2, in which the two negative charges are largely localized at the carbanion center of the benzene -substituents.

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11

Joshi, Anurag, Shashi Verma, R. B. Gaurb, and R. R. Sharma. "Di-n-butyltin(IV) Complexes Derived from Heterocyclic β-diketones and N-Phthaloyl Amino Acids: Preparation, Biological Evaluation, Structural Elucidation Based upon Spectral [IR, NMR (1H,13C,19F and119Sn)] Studies." Bioinorganic Chemistry and Applications 3, no. 3-4 (2005): 201–15. http://dx.doi.org/10.1155/bca.2005.201.

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Stable, six coordinated Bu2SnLA type complexes have been prepared [where LH =RCOC:C(OH)N(C6H5)N:︹CCH3; R = -4-F-C6H4-(L1H), R = -4-Cl-C6H4-(L2H), R= -4-Br-C6H4-(L3H), R= -CF3(L4H) andAH=C(O)C6H4C(O)︹NCHR′COOH; R'= -H(A1H), -CH3(A2H), -CH(CH3)2(A3H)] by the interaction of 1:1:1 molar ratios of di-n-butyltin(IV) dichloride with corresponding organic moieties in refluxing benzene using two moles of Et3N as a base. In these complexes LH and AH behave as bidentate and coordination is taking place through oxygen, this is inferred from IR and13C NMR studies. These complexes possess tin atoms in skew trapezoidal bipyramidal geometry with the C-Sn-C angles ranging from 149.88°to 156.84°. Some of these complexes with their corresponding organic moieties (LH, AH) were tested for their antimicrobial activities.

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12

Quitián-Lara, Heidy M., Felipe Fantuzzi, Ricardo R. Oliveira, Marco A. C. Nascimento, Wania Wolff, and Heloisa M. Boechat-Roberty. "Dissociative single and double photoionization of biphenyl (C12H10) by soft X-rays in planetary nebulae." Monthly Notices of the Royal Astronomical Society 499, no. 4 (October 15, 2020): 6066–83. http://dx.doi.org/10.1093/mnras/staa3181.

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ABSTRACT Biphenyl (C12H10), or phenylbenzene, is an important building block of polycyclic aromatic hydrocarbons (PAHs), whose infrared spectral features are present in a variety of galactic and extragalactic sources. In this work, we use synchrotron radiation coupled with time-of-flight spectrometry to study the photoionization and photodissociation processes of biphenyl upon its interaction with soft X-ray photons at energies around the inner-shell C1s resonance. These results are compared with our previous studies with benzene (C6H6) and naphthalene (C10H8), and discussed in the context of four planetary nebulae featuring PAH infrared emission: BD+30○3639, NGC 7027, NGC 5315, and NGC 40. We show that the mass spectrum of biphenyl before the C1s resonance energy is dominated by single photoionization processes leading to C6H$_{5}^+$, C6H$_{4}\, ^{+\cdot}$, and C12H$_{10}\, ^{+\cdot}$, while after the resonance dissociation following multiple photoionization processes is dominant. The release of neutral C6H6 and C6H$_{5}\, ^\cdot$ species accounts for one of the most relevant dissociation processes starting from the doubly ionized biphenyl, indicating that heterolytic charge separation of the two phenyl rings is also achieved. By using quantum chemical calculations, we show that the biphenylic structure is a high-lying isomer of the singly and doubly ionized C12H10 species, whose minimum energy geometries are related to the acenaphthene molecule, composed of a C2-bridged naphthalene. Furthermore, we estimate the lifetime of biphenyl for 275 and 310 eV in photon-dominated regions of planetary nebulae. We discuss distinct processes that may enhance its lifetime and those of other small-sized PAHs in such astrophysical environments.

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13

Casellato, U., G. Cavinato, R. Graziani, and L. Toniolo. "Crystal structure of (cyclohexanonetriphenylphosphonium) (trichlorotriphenyl)palladate(II)-benzene (1/1), (C6H5)3P(CHCH2CO(CH2)3)][(C6H5)3PPdCl3] · C6H6." Zeitschrift für Kristallographie - New Crystal Structures 215, no. 3 (March 1, 2000): 377–79. http://dx.doi.org/10.1515/ncrs-2000-0335.

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14

Kaiser, Klaus L. E., Juan M. Ribo, and Brian M. Zaruk. "Toxicity of Para-Chloro Substituted Benzene Derivatives in the Microtox™ Test." Water Quality Research Journal 20, no. 2 (May 1, 1985): 36–43. http://dx.doi.org/10.2166/wqrj.1985.016.

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Abstract This paper gives the results of part of a systematic investigation into contaminant toxicity to Photobacterium phosphoreum in the Microtox™ test. Reported are the toxicity values for 39 para-chloro substituted benzene derivatives of the general formula l-Cl-C6h4-4-X=CH2CH(NH2)COOH, F, SO2NH2, OCH2COOH, CH2COOH, CONHNH2, NHCOCH3, CONH2, CH=CHCOOH, SeOOH, CH2NH2, CH2CH2NH2, NO2, H, CF3, CHO, CH2OH, OH, CH3, CCl3, COCH3, COOH, NH2, SO2C6H5, Cl, CH2COCH3, COCl, CN, OCH3, NCO, NHCH3, I, COC6H5, CH2Cl, SH, CH2SH, NCS, CH2CN and SO2C6H4Cl. Except for the last compound, whose solubility is below the required concentration, the toxicities increase in the presented order with a total range of more than three orders of magnitude. The data are discussed in terms of quantitative structure-toxicity correlations with compound-specific structural parameters. In combination with a previously developed submodel on chlorinated benzenes, phenols, nitrobenzenes and anilines, the observed relationships allow the prediction of the toxicity of some 780 possible chloro derivatives of the general formula C6H5-nClnX, where n=<5 and X is a functional group as listed above.

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15

McGlinchey, Michael J., and Hao Nguyen. "The hydrolysis of (π-C6H6)Cr(π-C6F5CO2C2H5): an unexpected decarboxylation." Canadian Journal of Chemistry 64, no. 6 (June 1, 1986): 1170–72. http://dx.doi.org/10.1139/v86-193.

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The attempted basic hydrolysis of the ester sandwich compound (C6H6)Cr(C6F5CO2Et) did not yield the expected carboxylic acid but instead produced (C6H6)Cr(C6F5H) in good yield together with traces of (C6H6)Cr(C6HF4OMe). Attempts to trap a benzyne intermediate were unsuccessful and the mechanism of decarboxylation is discussed in terms of internal chelation at the chromium centre.

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16

Loginov, D. A., M. M. Vinogradov, Z. A. Starikova, P. V. Petrovskii, and A. R. Kudinov. "Photochemical substitution of benzene in the iron cyclohexadienyl complex [(η5-C6H7)Fe(η-C6H6)]+." Russian Chemical Bulletin 56, no. 11 (November 2007): 2162–65. http://dx.doi.org/10.1007/s11172-007-0340-5.

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17

Bennett, Martin A. "Aryne Complexes of Zerovalent Metals of the Nickel Triad." Australian Journal of Chemistry 63, no. 7 (2010): 1066. http://dx.doi.org/10.1071/ch10198.

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The chemistry of dihapto-aryne complexes of the zerovalent Group 10 metals of general formula [M(η2-aryne)L2] (M = Ni, Pd, Pt; L = various tertiary phosphines) is reviewed, with emphasis on the highly reactive nickel(0) compounds (aryne = benzyne, C6H4; 4,5-difluorobenzyne, 4,5-C6H2F2; 2,3-naphthalyne, 2,3-C10H6; L2 = 2 PEt3, 2 PiPr3, 2 PCy3, dcpe). These can be generated by alkali metal reduction of the appropriate (2-halogenoaryl)nickel(ii) halide precursors, such as [NiX(2-XC6H4)L2], which in turn are accessible by oxidative addition of the 1,2-dihaloarene to nickel(0) precursors such as [Ni(1,5-COD)2]. The X-ray structure of [Ni(η2-C6H4)(dcpe)] shows that this compound is a typical 16-electron Ni(0) (3d10) species in which benzyne acts as a 2π-electron donor. Several unusual organonickel compounds derived from [Ni(η2-4,5-C6H2F2)(PEt3)2] have been isolated recently, including [Ni2(μ-η2:η2-4,5-C6H2F2)(PEt3)4], in which a 4π-electron donor 4,5-difluorobenzyne is located at right-angles to a pair of nickel atoms. Free benzyne can be intercepted by both [Ni(η2-C2H4)(dcpe)] and [Pt(η2-C2H4)(PPh3)2], but the resulting benzyne complexes rapidly insert benzyne to give the appropriate η1:η1-2,2′-biphenylyl complexes. [Pt(η2-C6H4)(PPh3)2] also undergoes rapid ortho-metallation to give [PtPh(2-C6H4PPh2)(PPh3)]. However, a trapping reaction has been used to make the first 1,4-benzdiyne complex, [{Ni(dcpe)2}2(μ-η2:η2-1,4-C6H2)] by treatment of the 4-fluorobenzyne complex [Ni(η2-4-FC6H3)(dcpe)] with LiTMP. The use of alkali metals in the preparation of the η2-benzyne complexes is avoided in a more recently developed procedure, which starts from (2-bromophenyl)boronic acid, and is based on Suzuki–Miyaura coupling. This procedure has made accessible for the first time an aryne complex of palladium(0), [Pd(η2-C6H4)(PCy3)2], and the labile nickel(0) complex [Ni(η2-C6H4)(PPh3)2]. The aryne-nickel(0) complexes Ni(η2-aryne)L2 (L2 = 2 PEt3, dcpe) undergo sequential insertions into the aryne-metal bond with unsaturated molecules, such as CO, C2F4, substituted alkynes, substituted diynes, alkynylphosphines, and alkynyl thioethers, often with considerable regioselectivity. After the reductive elimination of two nickel-carbon σ-bonds, a variety of interesting polycyclic compounds can be obtained.

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18

Bennett, MA, HG Fick, and GF Warnock. "Cyclohexyneplatinum(0) Complexes Containing Di-t-butylphenylphosphine, t-butyldiphenylphosphine or Trimethylphosphine." Australian Journal of Chemistry 45, no. 1 (1992): 135. http://dx.doi.org/10.1071/ch9920135.

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Cyclohexyneplatinum (0) complexes Pt(C6H8)L2 [L = PBut2Ph(4), PbutPh2(5)] analogous to the known complex (3) (L=PPh3) have been prepared by reaction of the two-coordinate complexes PtL2 with 1,2-dibromocyclohexene and 1% sodium amalgam. The corresponding tricyclohexylphosphine complex is formed by a similar reaction but it could not be isolated in a pure state. Attempts to prepare analogues of (4) and (5) containing cycloheptyne or cyclooctyne were unsuccessful, possibly because the bulky t-butyl groups of the tertiary phosphines hinder coordination of the larger rings. Bulky tertiary phosphines do not displace PPh3 from (3) but trimethylphosphine reacts with (3) to give successively Pt(C6H8)(PMe3)2(PPh3) (10) and Pt(C6H8)(PMe3)2 (11), as shown by 31P{1H) n.m.r. spectroscopy. The tertiary phosphines in these complexes equilibrate rapidly at room temperature in benzene and only (10) can be isolated as a solid from the reaction. Complexes (4) and (5) react with HCl (1 molar proportion) to give n1-cyclohexen-l-yl complexes trans- PtCl (C6H9)L2 [L= PBut2Ph(6), PButPh2 (7)]. In the absence of air, (4) reacts with methanol at 65°C to give the hydrido complex trans- PtH (C6H9)(PBut2Ph)2 (8). In the presence of oxygen from the air, however, the main product is the dioxygen complex Pt(O2)(Pbut2Ph)2 (9). This represents an unusual example of complete displacement of cyclohexyne from a platinum(0) complex by a π-acceptor ligand.

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19

Chen, Chiu Wen, Je Wei Li, Chang Mao Hung, Jiann Yuh Lou, and Cheng Di Dong. "Electrochemical Degradation of Benzene in Water Using Platinum Supported on Carbon Black Materials." Advanced Materials Research 1044-1045 (October 2014): 43–46. http://dx.doi.org/10.4028/www.scientific.net/amr.1044-1045.43.

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This study investigated the feasibility of the electrochemical degradation of benzene (C6H6) in a NaCl electrolyte solution between 0.05 and 0.5 M under the temperature of 298 K and reaction concentration between 1.28×10-5 and 1.28×10-3 M with an applied potential of 3 V was conducted in this study to investigate the destruction of the C6H6 in the batch reactors using a Pt/XC-72 composite as a catalyst. Experimental results indicated that the optimal conditions in the reaction were developed as a NaCl solution with 0.1 M at pH of 1.0 under C6H6 concentration of 6.41×10-4 M. The results reveal that electrochemical degradation of C6H6 in acidic medium is highly effective, while a maximum about 41% reduction at 120 min was achieved with Pt/XC-72 composite during the electrochemical degradation. In comparsion, the removal efficiency reached only 29% with the Pt electrode, showing the suitability of the Pt/XC-72 composites for electro-oxidation of C6H6. As a result, XC-72 carbon black materials played an important role in the decomposition of C6H6. Furthermore, the Pt/XC-72 composite used in this research has been developed as a potential catalyst for the application of C6H6 electro-oxidation.

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20

Uson-Finkenzeller, M., W. Bublak, B. Huber, G. Müller, and H. Schmidbaur. "Synthese und Kristallstruktur des Bis(benzol)gallium(I)-tetrabromogallat(III)-Dimeren / Synthesis and Crystal Structure of the Bis(benzene)gallium (I) Tetrabromogallate(III) Dimer." Zeitschrift für Naturforschung B 41, no. 3 (March 1, 1986): 346–50. http://dx.doi.org/10.1515/znb-1986-0309.

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Anhydrous Ga[GaBr4] is readily dissolved in benzene. The resulting solutions show discrete 71Ga NMR signals for Ga(I) und Ga(III) centers. Narrow line-widths of the former indicate a small electric field gradient of the Ga(I) nucleus due to almost spherical shielding by the 4 s2 lone pair of electrons.Crystals obtained from the benzene solution on cooling have the stoichiometry [(C6H6)2Ga · GaBr4]2 ·3 C6H6, and are isomorphous with the analogous chloride compound: a = 9.390(2). b = 10.847(1), c = 13.118(2) Å; α = 85.54(1). β = 102.91(1). γ = 105.62(1)°; triclinic, space group Ρ1̄, Z = 1.The centrosymmetric dimers are composed of bis(benzene)gallium(I) and tetrabromogallate(III) units bridged by six bromine atoms. Only two bromine atoms are not engaged in coordinative bonding. The two benzene rings are both η6-bonded to the gallium(I) center, but not equidistant. They are enclined by 57.5°. The remaining benzene molecules are crystal benzene with no specific cation or anion contacts.

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21

Ohashi, Kazuhiko, and Nobuyuki Nishi. "Photodissociation spectroscopy of benzene cluster ions: (C6H6)+2 and (C6H6)+3." Journal of Chemical Physics 95, no. 6 (September 15, 1991): 4002–9. http://dx.doi.org/10.1063/1.460807.

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22

Ohashi, Kazuhiko, Yasuhiro Nakai, and Nobuyuki Nishi. "Photodissociation Mechanisms of Benzene Cluster Ions on the Excitation With hv = 0.5-3.0 eV." Laser Chemistry 15, no. 2-4 (January 1, 1995): 93–111. http://dx.doi.org/10.1155/1995/51561.

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The photodissociation of mass-selected benzene cluster ions, (C6H6)n+(n=2−8), is studied to elucidate the dynamics of dissociation and the mechanism of fragmentation. For (C6H6)2+, the average translational energy and the angular distributions of the photofragments are measured as a function of photon energy (hv). The photoexcitation to an upper bound state with hv = 2.81 eV results in statistical energy disposal. Regardless of the excitation to a dissociative state with hv = 1.17-1.62 eV, only a small fraction (at most 10%) of the available energy is partitioned into the translation. For (C6H6)n+ with n = 5-8, the average number of neutral molecules ejected following photoexcitation increases linearly with increasing hv until (C6H6)2+ is reached as the product. The result suggests that the photofragmentation proceeds via the sequential evaporation of neutral monomers rather than the direct ejection of a neutral cluster.

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23

Fernández-Sánchez, J. M., and W. F. Murphy. "On the trace Raman scattering cross sections of benzene C6H6, C6D6, and 13C6H6 in the gas phase." Chemical Physics 179, no. 3 (February 1994): 479–86. http://dx.doi.org/10.1016/0301-0104(94)87024-1.

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24

Bryan, Jeffrey C., Anthony K. Burrell, and Gregory J. Kubas. "[TcCl(CS)(dppe)2]·C6H6." Acta Crystallographica Section E Structure Reports Online 57, no. 1 (December 14, 2000): m23—m24. http://dx.doi.org/10.1107/s1600536800019486.

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The title compound, chlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P′](thiocarbonyl-C)technetium benzene solvate, [TcCl(C46H42P4)(CS)]·C6H6, was obtained as one of two Tc-containing products isolated from the reaction between CS2and the electron-deficient complex [TcCl(dppe)2], where dppe is 1,2-ethanediylbis(diphenylphosphine). The structure exhibits an unusually short Tc—C distance [1.819 (6) Å], suggesting some multiple-bond character.

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25

Gowrisankar, Saravanan, Helfried Neumann, Anke Spannenberg, and Matthias Beller. "(η6-Benzene)dichlorido(chlorodicyclohexylphosphane-κP)ruthenium(II) chloroform monosolvate." Acta Crystallographica Section E Structure Reports Online 70, no. 7 (June 11, 2014): m255. http://dx.doi.org/10.1107/s1600536814012975.

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The title compound, [RuCl2(η6-C6H6)(C12H22ClP)]·CHCl3, was prepared by reaction of [RuCl2(η6-C6H6)]2with chlorodicyclohexylphosphane in CHCl3at 323 K under argon. The RuIIatom is surrounded by one arene ligand, two Cl atoms and a phosphane ligand in a piano-stool geometry. The phosphane ligand is linked by the P atom, with an Ru—P bond length of 2.3247 (4) Å. Both cyclohexyl rings at the P atom adopt a chair conformation. In the crystal, the RuIIcomplex molecule and the chloroform solvent molecule are linked by a bifurcated C—H...(Cl,Cl) hydrogen bond. Intramolecular C—H...Cl hydrogen bonds are also observed.

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Zhang, Fangtong, Ying Guo, Xibin Gu, and Ralf I. Kaiser. "A crossed molecular beam study on the reaction of boron atoms, B(2Pj), with benzene, C6H6(X1A1g), and D6-benzene C6D6(X1A1g)." Chemical Physics Letters 440, no. 1-3 (May 2007): 56–63. http://dx.doi.org/10.1016/j.cplett.2007.04.012.

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27

Kopyra, Janina, Paulina Maciejewska, and Jelena Maljković. "Dissociative electron attachment to coordination complexes of chromium: chromium(0) hexacarbonyl and benzene-chromium(0) tricarbonyl." Beilstein Journal of Nanotechnology 8 (October 30, 2017): 2257–63. http://dx.doi.org/10.3762/bjnano.8.225.

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Here we report the results of dissociative electron attachment (DEA) to gas-phase chromium(0) hexacarbonyl (Cr(CO)6) and benzene-chromium(0) tricarbonyl ((η6-C6H6)Cr(CO)3) in the energy range of 0–12 eV. Measurements have been performed utilizing an electron-molecular crossed beam setup. It was found that DEA to Cr(CO)6 results (under the given experimental conditions) in the formation of three fragment anions, namely [Cr(CO)5]−, [Cr(CO)4]−, and [Cr(CO)3]−. The predominant reaction channel is the formation of [Cr(CO)5]− due to the loss of one CO ligand from the transient negative ion. The [Cr(CO)5]− channel is visible via two overlapping resonant structures appearing in the energy range below 1.5 eV with a dominant structure peaking at around 0 eV. The peak maxima of the fragments generated by the loss of two or three CO ligands are blue-shifted and the most intense peaks within the ion yield curves appear at 1.4 eV and 4.7 eV, respectively. (η6-C6H6)Cr(CO)3 shows a very rich fragmentation pattern with decomposition leading to the formation of seven fragment anions. Three of them are generated from the cleavage of one, two or three CO ligand(s). The energy of the peak maxima of the [(C6H6)Cr(CO)2]–, [(C6H6)Cr(CO)]–, and [(C6H6)Cr]− fragments is shifted towards higher energy with respect to the position of the respective fragments generated from Cr(CO)6. This phenomenon is most likely caused by the fact that chromium–carbonyl bonds are stronger in the heteroleptic complex (η6-C6H6)Cr(CO)3 than in homoleptic Cr(CO)6. Besides, we have observed the formation of anions due to the loss of C6H6 and one or more CO units. Finally, we found that Cr−, when stripped of all ligands, is generated through a high-energy resonance, peaking at 8 eV.

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28

Bock, Hans, Sabine Nick, Christian Näther, and Wolfgang Bensch. "Wechselwirkungen in Kristallen, 63 [1, 2] Kristallisation und Strukturbestimmung von 1,2-Dimesitoylbenzol und von Bis(hydrogen-1,2-dimesitoylbenzol)-dinatrium-bis(ethylendiamin)/Interactions in Crystals, 63 [1, 2] Crystallization and Structure Determination of 1,2-Dimesitoylbenzene and of Bis(hydrogen-1,2-dimesitoylbenzene)-disodium-bis(ethylendiamine)." Zeitschrift für Naturforschung B 50, no. 4 (April 1, 1995): 605–12. http://dx.doi.org/10.1515/znb-1995-0423.

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Chelate complexes of 1,2-dimesitoylbenzene radical anion with alkali metal cations exhibit in aprotic solution extremely large ESR /ENDOR metal coupling constants. For rationalization, structures of both the neutral molecule (H3C)3H2C6 - CO - C6H4 - CO - C6H2(CH3)3, in which the two carbonyl groups are twisted out of the benzene ring plane by dihedral angles of ± 3̄7̄°, and a sodium contact ion quadruple have been determined. One of the dimers [dimesitoylbenzeneH⊖ (Na⊕H2N H2C - CH2NH2)]2, although generated by Na metal mirror reduction of 1,2-dimesitoylbenzene in aprotic DME solution with added ethylendiamine for better electron transfer, surprisingly contains two 245 pm short (!) hydrogen bridges ⊖O ··· (H)O and in addition two solvation bridges e ⊖O ··· Na⊕(H2NH2C - CH2NH2) ··· O⊖. Results of MNDO calculations based on the experimental coordinates support the proposed concept.

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Parvin, Nasrina, Shiv Pal, Jorge Echeverría, Santiago Alvarez, and Shabana Khan. "Taming a monomeric [Cu(η6-C6H6)]+ complex with silylene." Chemical Science 9, no. 18 (2018): 4333–37. http://dx.doi.org/10.1039/c8sc00459e.

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Realization of a hitherto elusive unsupported η⁶ binding mode of benzene to a copper(i) cation employing silylene as a ligand. The back-donation from Cu to Si(ii) diminishes the repulsion between d-electrons and the benzene ring and enforces the η⁶ binding mode.

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Bolte, Michael. "{5-[4′-(2,2,5,5-Tetramethyl-3-pyrroline-1-oxyl-3-carbonyl)biphenyl-4-ylethynyl]-2,3,7,8,12,13,17,18-octaethylporphyrinato}copper(II) benzene solvate." Acta Crystallographica Section E Structure Reports Online 62, no. 7 (June 21, 2006): m1609—m1610. http://dx.doi.org/10.1107/s1600536806022987.

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The title compound, C59H64CuN5O3·C6H6, features an essentially planar porphyrin ring system, with the Cu atom located in the plane and showing equal Cu—N distances. The space between the molecules is occupied by benzene solvent molecules.

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OHASHI, K., and N. NISHI. "ChemInform Abstract: Photodissociation Spectroscopy of Benzene Cluster Ions: (C6H6)+ 2 and ( C6H6)+ 3." ChemInform 23, no. 2 (August 22, 2010): no. http://dx.doi.org/10.1002/chin.199202053.

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32

Ping, Guang-Ju, Jian-Fang Ma, and Shun-Li Li. "6-Chloro-3-pyridylmethyl 4-aminobenzoate benzene solvate." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (February 23, 2007): o1450—o1451. http://dx.doi.org/10.1107/s1600536807007921.

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The ester molecule of the title compound, C13H11ClN2O2·C6H6, is not planar, with a dihedral angle between the benzene and pyridine rings of 15.2 (3)°. Two ester molecules are connected by intermolecular N—H...N hydrogen bonds, forming a dimer.

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MAULANA, YUSUF EKA, TRISNA YULIANA, and AINI ASPIATI ROHMAH. "Identifikasi Senyawa BTEX pada Asap Kendaraan Bermotor Roda Dua." Jurnal Reka Lingkungan 9, no. 2 (June 24, 2020): 71–83. http://dx.doi.org/10.26760/rekalingkungan.v9i2.71-83.

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AbstrakPenggunaan kendaraan bermotor roda dua di Indonesia semakin berkembang pesat. Semakin tinggi tingkat penggunaan transportasi yang beroperasi disuatu daerah, maka akan semakin tinggi pula potensi pencemaran udara di daerah tersebut. Jika pembakaran pada kendaraan bermotor tidak sempurna maka dapat dihasilkan senyawa yang berbahaya yaitu benzene (C6H6), toluene (C7H8), ethylbenzene (C8H9), dan xylene (C8H10) atau biasa disingkat BTEX. Tujuan penelitian ini adalah untuk mengidentifikasi senyawa BTEX dan senyawa hidrokarbon lainnya dalam asap kendaraan bermotor dengan menggunakan kromatografi gas-spektrometer massa (GC-MS). Hasil identifikasi menunjukkan adanya hubungan yangsangat kuat antara standard dengan hasil pengukuran yaitu dengan R2 di atas 0,99. Identifikasi menunjukkan senyawa BTEX yang terbentuk adalah Benzene, Toluene, Etil Benzene, Xylene.Kata kunci: kendaraan bermotor, hidro karbon, BTEX, GC-MS.AbstractThe use of two wheels motorized vehicles or motorcycles in Indonesia is growing rapidly. It has been known that the greater the number of two wheels motorized vehicles the higher the potential for air pollution. If the combustion occur incomplete, hazardous compounds can be generated, namely benzene (C6H6), toluene (C7H8), ethylbenzene (C8H9), and xylene (C8H10) or commonly abbreviated BTEX. The purpose of this study was to identify BTEX compounds and other hydrocarbon compounds in motor vehicle fumes using gas chromatography-mass spectrometers. The identification results indicate a very strong relationship between the standard and the measurement results, with R2 above 0.99. Identification shows that BTEX compounds formed are Benzene, Toluene, Ethyl Benzene, Xylene. Keywords: motorcycles, hidro karbon, BTEX, GC-MS.

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Tillmann, Jan, Hans-Wolfram Lerner, and Michael Bolte. "A new pseudopolymorph of perchlorinated neopentasilane: the benzene monosolvate Si(SiCl3)4·C6H6." Acta Crystallographica Section E Crystallographic Communications 76, no. 2 (January 31, 2020): 261–63. http://dx.doi.org/10.1107/s2056989020000900.

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A new pseudopolymorph of dodecachloropentasilane, namely a benzene monosolvate, Si5Cl12·C6H6, is described. There are two half molecules of each kind in the asymmetric unit. Both Si5Cl12 molecules are completed by crystallographic twofold symmetry. One of the benzene molecules is located on a twofold rotation axis with two C—H groups located on this rotation axis. The second benzene molecule has all atoms on a general position: it is disordered over two equally occupied orientations. No directional interactions beyond normal van der Waals contacts occur in the crystal.

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Morris, R. H., J. M. Ressner, and J. F. Sawyer. "trans-Bis(dinitrogen)tetrakis(methyldiphenylphosphine)molybdenum(0) benzene solvate, [Mo(N2)2{P(CH3)(C6H5)2}4].1.5(C6H6)." Acta Crystallographica Section C Crystal Structure Communications 41, no. 7 (July 15, 1985): 1017–19. http://dx.doi.org/10.1107/s0108270185006400.

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36

Ohashi, Kazuhiko, and Nobuyuki Nishi. "Photodepletion spectroscopy on charge resonance band of benzene clusters (C6H6)2+ and (C6H6)3+." Journal of Physical Chemistry 96, no. 7 (April 1992): 2931–32. http://dx.doi.org/10.1021/j100186a030.

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37

Jorge, RADLVC, D. Lemos, and GS Moreira. "Effect of zinc and benzene on respiration and excretion of mussel larvae (Perna perna) (Linnaeus, 1758) (Mollusca; Bivalvia)." Brazilian Journal of Biology 67, no. 1 (February 2007): 111–15. http://dx.doi.org/10.1590/s1519-69842007000100015.

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The presence of pollutants in the ocean may affect different physiological parameters of animals. Oxygen consumption and ammonia excretion were evaluated in D-shaped larvae of mussels (Perna perna) exposed to zinc sulphate (ZnSO4) and benzene (C6H6). When compared to the control group, both pollutants presented a significant reduction in oxygen consumption. A reduction in the ammonia excretion was also observed, both for ZnSO4 and C6H6 and also in the oxygen consumption. The results indicate that anaerobic metabolism may occur at the beginning of P. perna mussels development, as observed in veliger larvae. The O:N ratio under experimental conditions showed low values indicating that catabolism in veliger larvae was predominantly proteic.

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Puglisi, Donatella, Jens Eriksson, Mike Andersson, Joni Huotari, Manuel Bastuck, Christian Bur, Jyrki Lappalainen, Andreas Schuetze, and Anita Lloyd Spetz. "Exploring the Gas Sensing Performance of Catalytic Metal/Metal Oxide 4H-SiC Field Effect Transistors." Materials Science Forum 858 (May 2016): 997–1000. http://dx.doi.org/10.4028/www.scientific.net/msf.858.997.

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Gas sensitive metal/metal-oxide field effect transistors based on silicon carbide were used to study the sensor response to benzene (C6H6) at the low parts per billion (ppb) concentration range. A combination of iridium and tungsten trioxide was used to develop the sensing layer. High sensitivity to 10 ppb C6H6 was demonstrated during several repeated measurements at a constant temperature from 180 to 300 °C. The sensor performance were studied also as a function of the electrical operating point of the device, i.e., linear, onset of saturation, and saturation mode. Measurements performed in saturation mode gave a sensor response up to 52 % higher than those performed in linear mode.

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Lino, J. L. S. "Electronic excitation of C6H6 by positron impact." Revista Mexicana de Física 67, no. 2 Mar-Apr (July 15, 2021): 188–92. http://dx.doi.org/10.31349/revmexfis.67.188.

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Experiments on electronic excitation of molecules using positron as incident particle have shown much larger cross sections than in the electron scattering case. The comprehension of these inelastic processes represent a great challenge and only few studies on electronic excitation of molecules are discussed in the literature. For example, for the C6H6 molecule experimental and theoretical calculations are not in a very advanced state same for electron scattering case (Benzene represent a simplest aromatic hydrocarbon and very important chemical compound due to its role as a key precursor in process pharmaceutical). Recent experiments on electronic excitation of C6H6 (1B1u, and 1E1u electronic states) using electron as incident particle are available by Kato et al (J.Chem.Phys.134 134308(2011)). Motivated by their experiments we have taken up the task to investigate the same electronic excitation of C6H6 using positron as incident particle. For the first time, integral cross sections in e+ - C6H6 (1B1u, and 1E1u electronic states) using the scaling Born positron (SBP) approach are reported and in the absence of the experimental data and developments theoretical, comparisons are made with analogous electron scattering.Keywords: Born, positron, scaling

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40

Eckardt, Karin, Hartmut Fuess, Masakazu Hattori, Ryuichi Ikeda, Hiroshi Ohki, and Alarich Weiss. "Structure and Dynamics of Crystal Solvates Hexaphenylditin • 2X, X=Benzene , Toluene, Fluorobenzene , Chlorobenzene , and Aniline. An X-Ray, P(VAPOR)=ƒ(T)> and 2H NMR Study." Zeitschrift für Naturforschung A 50, no. 8 (August 1, 1995): 758–69. http://dx.doi.org/10.1515/zna-1995-0808.

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Abstract The crystal structures of the hexaphenylditin (hpdt) solvate compounds, (C6H5)3Sn-Sn (C6H5)3 • 2X, solvent X = aniline (an), chlorobenzene (cb), fluorobenzene (fb), and toluene (to), were determined. They are isomorphous with the known benzene (be) crystal solvate compound hpdt • 2be, crystallizing in the trigonal space group R3̅, with Z=3 formula units per unit cell. The lattice constants (in pm), from X-ray powder diffraction, are: hpdt • 2an (1): a= 1170.01 (9), c = 2641.49 (20), c/a = 2.2577; hpdt • 2be (2): a = 1165.45 (5), c = 2641.30 (9), c/a = 2.2663; hpdt • 2cb (3): 0=1175.88(5), c = 2661.66(10), c/a = 2.2635; hpdt • 2fb (4): 0 = 1167.69(5), c = 2643.21 (9), c/a = 2.2636; hpdt • 2to (5): a=1182.24 (7), c = 2649.13(11), c/a = 2.2408. The single crystal structure determination of 5 leads to a = 1180.2(2), c = 2651.4 (5). The decomposition of 5 results in the monoclinic phase of hexaphenylditin. Vapor pressure measurements p=ƒ(T), 260 <̲ T/K <̲350, of the compounds have been performed and the heats of vaporization ΔHv/kJmole-1 were determined: 52.44 (1), 46.65 (2), 34.52 (3), 43.08 (4), 55.30 (5). The dynamics of the host molecules C6D6, C6D5CD3 and C6H5ND2 were studied by 2H NMR in the range 295 <̲ T/K <̲ 118. The rotation of the benzene molecule about its threefold axis is maintained till 118 K; in the case of toluene the rotation of the phenyl ring about the pseudo-threefold axis freezes in below 180 K, while the methyl group still rotates about its threefold axis till 123 K.

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Yencha, Andrew J., Richard I. Hall, Lorenzo Avaldi, Grant Dawber, Andrew G. McConkey, Michael A. MacDonald, and George C. King. "Threshold photoelectron spectroscopy of benzene up to 26.5 eV." Canadian Journal of Chemistry 82, no. 6 (June 1, 2004): 1061–66. http://dx.doi.org/10.1139/v04-057.

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The threshold photoelectron spectrum of benzene has been recorded up to 26.5 eV photon energy under high-resolution conditions using synchrotron radiation and employing the penetrating-field threshold electron collection method. By means of a direct comparative study with a recent HeI photoelectron spectrum of benzene of equally high resolution, numerous autoionization effects are observed in the formation of the ionic band systems of benzene in the outer valence ionization region in the threshold photoelectron spectrum. The Rydberg states responsible for these effects are identified. Autoionization does not appear to play a role in the formation of the two lowest-energy, inner-valence bands of C6H6+.Key words: threshold photoelectron spectroscopy, photoelectron spectroscopy, benzene, ionization, autoionization, Rydberg states.

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Merz, Kenneth M., and Lawrence T. Scott. "The C6H6 potential-energy surface: automerization of benzene." Journal of the Chemical Society, Chemical Communications, no. 4 (1993): 412. http://dx.doi.org/10.1039/c39930000412.

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Kinugawa, T., A. M. Hodgekins, and J. H. D. Eland. "A curious regularity in the dissociative photoionization of fluorinated benzenes: why do C6F6+ and C6H6+ dissociate so differently?" Chemical Physics Letters 368, no. 3-4 (January 2003): 276–81. http://dx.doi.org/10.1016/s0009-2614(02)01859-6.

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Slade, Robert C. T., Claire M. Bambrough, and Ruth T. Williams. "An incoherent inelastic neutron scattering investigation of the vibrational spectrum of phenyl-modified (C6H5–) mesoporous silica and its variations in the presence of sorbed benzene (C6H6) and of sorbed deuteriobenzene (C6D6)." Phys. Chem. Chem. Phys. 4, no. 21 (2002): 5394–99. http://dx.doi.org/10.1039/b203531f.

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Dubois, David, Ella Sciamma-O’Brien, Laura T. Iraci, Erika Barth, Farid Salama, and Sandrine Vinatier. "C6H6 condensation on Titan’s stratospheric aerosols: An integrated laboratory, modeling and experimental approach." Proceedings of the International Astronomical Union 15, S350 (April 2019): 189–92. http://dx.doi.org/10.1017/s174392132000054x.

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AbstractSaturn’s moon Titan was explored by the Cassini mission for nearly 13 years. Important discoveries made during the Cassini mission include the observations of stratospheric clouds in Titan’s cold polar regions in which spectral features or organic molecules were detected in the infrared (<100 μm). In particular, benzene (C6H6) ice spectral signatures were recently detected at unexpectedly high altitudes over the South Pole. The combined experimental, modeling and observational effort presented here has been devised and executed in order to interpret these high altitude benzene observations. Our multi-disciplinary approach aims to understand and characterize the microphysics of benzene clouds in Titan’s South Pole.

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Qian, Ting-Ting, Meng-Jie Hu, Zhifeng Xin, Ai-Quan Jia, and Qian-Feng Zhang. "Alkylation of tetrathiotungstate anions: crystal structures of the alkylthiolatotrithiotungstate complexes [PPh4]2[WS3(Sn Pr)][WS3(Sn Bu)]·½C6H6 and [PPh4][WS3(SCH2C6H4CH2Cl-4)]." Zeitschrift für Naturforschung B 72, no. 2 (February 1, 2017): 101–6. http://dx.doi.org/10.1515/znb-2016-0181.

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AbstractThe reaction of [PPh4]2[WS4] in CH3CN with excess n-propylbromide or n-butylbromide gave alkylthiolatotrithiotungstate complexes, [PPh4][WS3(SR)] (1: R=n-propyl; 2: R=n-butyl). The analogous reaction with 1-bromomethyl-4-chloromethyl-benzene afforded a benzylthiolatotrithiotungstate complex, [PPh4][WS3(SCH2C6 H4CH2Cl-4)] (3), whereas the reaction with 1,4-bis-bromomethyl-benzene led to isolation of a dinuclear complex [PPh4]2[WS3(μ-SCH2C6H4CH2S)WS3] (4). Complexes 1–4 were characterized spectroscopically and the crystal structures of 1/2·½C6H6 and 3 have been determined by X-ray diffraction.

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Koretsky, Geoffrey M., and Mark B. Knickelbein. "Infrared photodissociation spectroscopy of Agn(C6H6)m and Agn(C6D6)m clusters: evidence of adsorption-induced symmetry reduction in benzene." Chemical Physics Letters 267, no. 5-6 (March 1997): 485–90. http://dx.doi.org/10.1016/s0009-2614(97)00132-2.

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48

Kwon, Chan Ho, Hong Lae Kim, and Myung Soo Kim. "Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C6H6+ and C6D6+ in the X̃ 2E1g state." Journal of Chemical Physics 119, no. 1 (July 2003): 215–23. http://dx.doi.org/10.1063/1.1577317.

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Kwon, Chan Ho, Hong Lae Kim, and Myung Soo Kim. "Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C6H6+ and C6D6+ in the B̃ 2E2g state." Journal of Chemical Physics 119, no. 8 (August 22, 2003): 4305–12. http://dx.doi.org/10.1063/1.1592512.

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Gowrisankar, Saravanan, Helfried Neumann, Anke Spannenberg, and Matthias Beller. "(η6-Benzene)(carbonato-κ2O,O′)[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κP]ruthenium(II) chloroform trisolvate." Acta Crystallographica Section E Structure Reports Online 70, no. 7 (June 21, 2014): m272—m273. http://dx.doi.org/10.1107/s1600536814014081.

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Abstract:

The title compound, [Ru(CO3)(η6-C6H6){(C6H11)2P(CH2C10H7)}]·3CHCl3, was synthesized by carbonation of [RuCl2(η6-C6H6){(C6H11)2P(CH2C10H7)}] with NaHCO3in methanol at room temperature. The RuIIatom is surrounded by a benzene ligand, a chelating carbonate group and a phosphane ligand in a piano-stool configuration. The crystal packing is consolidated by C—H...O and C—H...Cl hydrogen-bonding interactions between adjacent metal complexes and between the complexes and the solvent molecules. The asymmetric unit contains one metal complex and three chloroform solvent molecules of which only one was modelled. The estimated diffraction contributions of the other two strongly disordered chloroform solvent molecules were substracted from the observed diffraction data using the SQUEEZE procedure inPLATON[Spek (2009).Acta Cryst.D65, 148–155].

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