Relevant bibliographies by topics / Alkyne complexes

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Alkyne complexes'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 February 2022

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Journal articles on the topic "Alkyne complexes"

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Rajapakse, Nimal, Brian R. James, and David Dolphin. "Alkyne and alkene complexes of (tetramesitylporphyrinato)ruthenium(II)." Canadian Journal of Chemistry 68, no. 12 (December 1, 1990): 2274–77. http://dx.doi.org/10.1139/v90-350.

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The reactions of benzene or toluene solutions of RuII(TMP), where TMP is the dianion of 5,10,15,20–tetramesitylporphyrin, with some acetylenes and alkenes are reported. Acetylene yields the isolable [Ru(TMP)]2(μ-C2H2) species; while with phenylacetylene or diphenylacetylene, 1:1 π-complexes are formed. The π-complexes Ru(TMP)(C2H4) and Ru(TMP)-(C2H4)(iPrOH)•iPrOH are isolated from reactions with ethylene, and a similar cyclohexene species is characterized insitu. The findings are relevant to O2-epoxidation of alkenes catalyzed by the trans-Ru(TMP)(O)2 complex. Keywords: ruthenium, porphyrin (tetramesityl), alkene complexes, alkyne complexes.
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Wang, Li-Sheng, and Martin Cowie. "Alkyne transformations at RhMn centres. Facile conversion between parallel and perpendicular alkyne binding modes and conversions to vinyl groups." Canadian Journal of Chemistry 73, no. 7 (July 1, 1995): 1058–71. http://dx.doi.org/10.1139/v95-131.

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The heterobinuclear complex [RhMn(CO)4(dppm)2] (1) (dppm = Ph2PCH2PPh2) reacts with alkynes (RC≡CR; R = CO2Me (DMAD), CF3 (HFB)) to yield the alkyne-bridged products [RhMn(CO)4(μ-RC2R)(dppm)2] (3a, 3b), in which the alkyne binds parallel to the metals. These species lose one carbonyl to yield two isomers in which the bridging alkyne group is either parallel or perpendicular to the Rh–Mn vector (4 or 5). Unusually facile interconversion between these two alkyne binding modes occurs. Protonation of the different alkyne-bridged species appears to occur at the metals with subsequent transfer to the alkyne ligand, yielding a series of vinyl complexes. These vinyl complexes are also obtained from the reaction of the hydride-bridged complex [RhMn(CO)4(μ-H)(dppm)2][BF4] (2) with alkynes. A related vinyl species [RhMn((CH3)C=CH2)(CO)4(dppm)2][BF4] (9a) is obtained in the reaction of 2 with allene. Also obtained in the allene reaction is the isomeric η1-allyl complex [RhMn(η1-CH2C(H)=CH2)(CO)4(dppm)2][BF4] (9b), which converts to 9a upon refluxing. The methyl analogues [RhMnCH3(CO)4(dppm)2][X] (X = SO3CF3, I) have been characterized and their structural formulations offer support for those of the vinyl species. Keywords: heterobinuclear, alkyne complexes, vinyl complexes.
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Staudaher, Nicholas D., Ryan M. Stolley, and Janis Louie. "Synthesis, mechanism of formation, and catalytic activity of Xantphos nickel π-complexes." Chem. Commun. 50, no. 98 (2014): 15577–80. http://dx.doi.org/10.1039/c4cc07590k.

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Balcells, David, Odile Eisenstein, Mats Tilset, and Ainara Nova. "Coordination and insertion of alkenes and alkynes in AuIII complexes: nature of the intermediates from a computational perspective." Dalton Transactions 45, no. 13 (2016): 5504–13. http://dx.doi.org/10.1039/c5dt05014f.

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Ehrhorn, Henrike, Janin Schlösser, Dirk Bockfeld, and Matthias Tamm. "Efficient catalytic alkyne metathesis with a fluoroalkoxy-supported ditungsten(III) complex." Beilstein Journal of Organic Chemistry 14 (September 18, 2018): 2425–34. http://dx.doi.org/10.3762/bjoc.14.220.

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The molybdenum and tungsten complexes M2(OR)6 (Mo2F6, M = Mo, R = C(CF3)2Me; W2F3, M = W, R = OC(CF3)Me2) were synthesized as bimetallic congeners of the highly active alkyne metathesis catalysts [MesC≡M{OC(CF3) n Me3− n }] (MoF6, M = Mo, n = 2; WF3, M = W, n = 1; Mes = 2,4,6-trimethylphenyl). The corresponding benzylidyne complex [PhC≡W{OC(CF3)Me2}] (W Ph F3) was prepared by cleaving the W≡W bond in W2F3 with 1-phenyl-1-propyne. The catalytic alkyne metathesis activity of these metal complexes was determined in the self-metathesis, ring-closing alkyne metathesis and cross-metathesis of internal and terminal alkynes, revealing an almost equally high metathesis activity for the bimetallic tungsten complex W2F3 and the alkylidyne complex W Ph F3. In contrast, Mo2F6 displayed no significant activity in alkyne metathesis.
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Levine, Daniel S., T. Don Tilley, and Richard A. Andersen. "Efficient and selective catalysis for hydrogenation and hydrosilation of alkenes and alkynes with PNP complexes of scandium and yttrium." Chem. Commun. 53, no. 87 (2017): 11881–84. http://dx.doi.org/10.1039/c7cc06417a.

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Scandium and yttrium congeneric complexes, supported by a monoanionic PNP ligand, were studied as catalysts for alkene hydrogenation and hydrosilation and alkyne semihydrogenation and semihydrosilation.
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Alt, H. G., and H. E. Engelhardt. "Darstellung und spektroskopische Charakterisierung der Acetylenkomplexe CpV(CO)2R1C2R2 und CpV(CO)(L)R1C2R2 (Cp=η5-C5H5; R1, R2 = H, Me, Ph, SiMe3; L = PMe3tBuNC) / Preparation and Spectroscopic Characterization of the Acetylene Complexes CpV(CO)2R1C2R2 and CpV(CO)(L)R1C2R2 (Cp=η5-C5H5; R1, R2 = H, Me, Ph, SiMe3; L = PMe3tBuNC)." Zeitschrift für Naturforschung B 40, no. 9 (September 1, 1985): 1134–38. http://dx.doi.org/10.1515/znb-1985-0907.

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The photo-induced reaction of CpV(CO)4 (1) (Cp =η5-C5H5) with alkynes R1C2R2 (R1, R2 = H, Me, Ph, SiMe3) in pentane solution yields the substitution products CpV(CO)2R1C2R2 (2). One CO ligand of complexes 2 is readily displaced by PMe3 or tBuNC affording the derivatives CpV(CO)(L)R1C2R2 {3(PMe3), 4 (tBuNC)}. Compounds 2-4 are characterized by their IR, 1H, 13C, 51V NMR and mass spectra. The alkyne in compounds 2-4 shows typical features of a four electron ligand. The barrier for the rotation of the alkyne ligand around the vanadium alkyne bond axis in the complexes 3-4 is comparatively low (⊿ G≠ = 44.4-68.3 kJ/mol) depending mainly on the steric requirements of the acetylene ligand.
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Li, Longfei, Mengxian Dong, Hua‐Jie Zhu, Bin Peng, Yaoming Xie, and Henry F. Schaefer. "Unusual η 1 ‐Coordinated Alkyne and Alkene Complexes." Chemistry – A European Journal 25, no. 68 (December 5, 2019): 15628–33. http://dx.doi.org/10.1002/chem.201903824.

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Clark, George R., Alastair J. Nielson, A. David Rae, and Clifton E. F. Rickard. "The synthesis of octahedral mixed bis-alkyne and alkyne–alkene complexes of tungsten." J. Chem. Soc., Chem. Commun., no. 15 (1992): 1069–70. http://dx.doi.org/10.1039/c39920001069.

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Webster, Ruth. "Room Temperature Ni(II) Catalyzed Hydrophosphination and Cyclotrimerization of Alkynes." Inorganics 6, no. 4 (November 2, 2018): 120. http://dx.doi.org/10.3390/inorganics6040120.

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The catalytic activity of nickel complexes in hydrophosphination involving secondary phosphines is not a commonly studied transformation. Beyond a small number of stand-out examples, many reports in the literature focus on the use of simple nickel salts. β-Diketiminates have been proven to be incredibly effective ligands for catalysis using a range of metal centers. This synthetic study investigates the catalytic ability of a Ni(II) β-diketiminate complex in the hydrophosphination of alkenes and alkynes, with a serendipitous discovery of its ability to effect alkyne cyclotrimerization and phosphine dehydrocoupling.
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Dissertations / Theses on the topic "Alkyne complexes"

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Mallors, Ruth Louise. "Alkyne and alkyne-arene complexes of ruthenium." Thesis, University of Edinburgh, 1995. http://hdl.handle.net/1842/15261.

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The introduction begins with an out-line of the cluster surface analogy and looks at the importance of studying small organic molecules on clusters to attain a greater understanding of metallic surfaces. The Chapter goes on to look at the activation of alkynes upon coordination to a cluster and assesses the diverse behaviour of alkynes as ligands, some electron counting considerations are considered. Reaction procedures employed in the synthesis of cluster-alkyne complexes are compared highlighting pros and cons of the different routes. The Chapter concludes with a brief synopsis on the cluster [Ru6C(CO)17]. Chapter two is concerned with the synthesis and characterisation of a series alkyne substituted hexaruthenium carbonyl complexes. It is shown that through the utilisation of the oxidative decarbonylation reagent trimethylamine-N-oxide, Me3NO but-2-yne will successively displace carbonyl ligands to yield the complexes [Ru6C(CO)15(m3:h2:h1:h1-Me2C2)], 2, [Ru6C(CO)14(m3:h2:h1:h1:-Me2C2)(m:h2:h2-Me2C2)], 3. [(Ru6C(CO)12(m3h2:h1:h1-Me2C2)3], 5 and [Ru6C(CO)10(Me2C2)4], 6. It is observed that the octahedral array of atoms in complex 2 undergoes a polyhedral rearrangement when reacted to form 3 which exhibits a capped square based pyramid geometry, Complex 3 loses a carbon monoxide ligand to produce [Ru6C(CO)13(Me2C2)2], 4 via chemical and thermal activation. Complexes 3, 5 and 6 display unusual electron counts of 88 when according to polyhedral electron counting predictions such geometries should have counts of 86, this is discussed. The Chapter goes onto investigate the synthesis of complexes which have difference alkyne ligands bound to the cluster fragment. Complexes [Ru6C(CO)14(Me2C2)(Ph2C2), 7, [Ru6C(CO)15(MeC2Et)], 8, [Ru6C(CO)14(MeC2Et)(Me2C2)], 9 and [Ru6C(CO)12(MeC2Et)(Me2C2)(Ph2C2)], 11 are prepared and characterised. The Chapter closes with concluding remarks and an update of the current state of play of the research.
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George, Darren Shawn Allen. "Alkyne and alkynyl complexes of rhodium and iridium." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0025/NQ39530.pdf.

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Davoile, Ryan J. "New reactions of metal-alkyne complexes." Thesis, Loughborough University, 2003. https://dspace.lboro.ac.uk/2134/12908.

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This thesis describes the use of bimetallic alkyne complexes for use in variants of the Nicholas reaction. The heterobimetallic core provides a source of chiral control unlike previous protocols reported in the literature, as stereocontrol arises from the inherently chiral cobalt-molybdenum core of these complexes and not from an external source. The inherently chiral heterobimetallic complexes were utilised as efficient chiral auxiliaries for nucleophilic additions to both propargylic alkene and Nicholas salt complexes with a degree of stereocontrol also extending to intramolecular addition. 1,3-Dipolar cycioaddition to homo bimetallic and heterobimetallic enyne complexes to obtain isoxazoline ring systems was investigated, following a report in the literature. A novel homobimetallic 1,3-dipole was synthesised on opening of a cyclopropane, subsequel1tly trapping with a series of aldehyde and imines to efficiently form tetrahydrofuran and pyrrolidine ring structures. Chapter 1: An overview of developments of homobimetallic alkyne complexes in the Nicholas reaction as reported in the literature. Chapter 2: Highlights our research into the use of bimetallic alkyne complexes for use in organic synthesis. Chapter 3: Provides experimental data for our studies.
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Wexler, Pamela Andrea. "Synthesis and reactivity of tantalum and tungsten alkyne complexes: Models for alkyne cyclization." Diss., The University of Arizona, 1990. http://hdl.handle.net/10150/185228.

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Intermediates in the cyclization reaction of alkynes have been isolated using the group 5 tantalum phenoxide reagents, Ta(DIPP)₂Cl₃(OEt₂) and Ta(DIPP)₃Cl₂(OEt₂) (DIPP = O-2,6-C₆H₃-i-Pr₂). The extent of cyclization has been effected by controlling the sterics at the metal center or the alkyne itself. Reducing the less congested bis phenoxide complex, Ta(DIPP)₂Cl₃(OEt₂), by two electrons in the presence of 2-butyne or 3-hexyne allowed the isolation of an arene complex, (C₆R₆)Ta(DIPP)₂Cl (R = Me, Et), which is formally classified as a 7-metallanorbornadiene. This complex can also be reduced by one more electron to produce a tanatalum (II) species that readily undergoes a one-electron addition reaction with halogenated reagents. This complex also underwent an intramolecular C-H activation of one of the alkyl groups on the arene ring. Attempts were made to try and generalize this cyclization and C-H activation chemistry to the group 6 metals. Tungsten phenoxide and mixed phenylimido-phenoxide reagents were synthesized for use in subsequent cyclization reactions. Reducing the bis phenoxide complex, W(DIPP)₂Cl₄, by two electrons in the presence of a variety of alkynes afforded the alkyne complexes W(DIPP)₂Cl₂(RC≡CR') (R = R' = Me, Et, Ph; R = CMe₃, R' = H). The mixed phenylimido-phenoxide complexes, W(NAr)(DMP)ₓCl₃₋ₓ (x = 1 or 2; NAr = N-2,6-C₆H₃-i-Pr₂; DMP = O-2,6-C₆H₃Me₂), were also reduced by two electrons in the presence of alkynes to afford adducts (i.e. W(NAr)(DMP)₂(EtC≡CEt)). These alkyne adduct complexes failed to undergo any cycloaddition reactions. Reduction of the tantalum tris phenoxide complex, Ta(DIPP)₃Cl₂(OEt₂), by two electrons in the presence of the bulky alkynes diphenylacetylene or trimethylsilyl-1-propyne afforded the isolation of the alkyne adducts (DIPP)₃Ta(PhC≡CPh) and (DIPP)₃Ta(Me₃SiC≡CMe) respectively. The alkyne adduct (DIPP)₃Ta(Me₃SiC≡CMe) undergoes regioselective cross-coupling reactions with smaller alkynes to afford metallacyclopentadienes. Metallacyclopentadienes can be formed directly from the reduction of the tris phenoxide complex in the presence of smaller alkynes (i.e. (DIPP)₃Ta(CEt=CEtCEt=CEt)). The alkyne adduct undergoes cyclization reactions with nitriles that contain α-hydrogens to yield metallacycloenamine complexes (DIPP)₃Ta(CSiMe₃=CMeC(=CHR)NH). The adduct also reacts with ketones to produce metallacyclic complexes with the formulation (DIPP)₃Ta(CSiMe₃=CMeC(RR')O).
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Al-Resayes, S. I. "Phospha-alkyne complexes of the platinum metals." Thesis, University of Sussex, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.372068.

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Mylvaganam, Murugesapillai. "Addition-transfer reactions of zirconium alkyne complexes." Thesis, University of British Columbia, 1989. http://hdl.handle.net/2429/27602.

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A unique type of reaction, namely the addition-transfer process, has been developed. This reaction transforms the zirconium alkyne complexes, Cp2Zr(η²-alkyne)(PMe₃), to 2-diphenylphosphino and 2-trimethylstannyl alkenyl zirconium compounds by reaction with Ph₂PCI and Me₃SnCl respectively. In the former process, the Ph₂P group is found to be cis to the Cp₂ZrCl group whereas, in the latter case, the Me₃Sn and the Cp₂ZrCl moieties are trans to one another. This reaction was also used to synthesize dienyl zirconium compounds having Ph₂P substitutions on the diene. Preliminary mechanistic proposals suggest that the Ph₂PCI is reacting via a four-centre pathway involving the P-Cl bond and one of the Zr-C bonds of the zirconium alkyne complex; whereas Me₃SnCl reacts via a transition state similar to a π-complex.
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Sundavadra, Bharat Viram. "The organometallic chemistry of alkyne-bridged bimetallic complexes." Thesis, University of Cambridge, 1993. https://www.repository.cam.ac.uk/handle/1810/272569.

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Harding, David James. "Redox-active group 6 transition metal alkyne complexes." Thesis, University of Bristol, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.324328.

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Fletcher, Anthony James. "Preparation and synthetic use of heterobimetallic alkyne complexes." Thesis, Loughborough University, 2002. https://dspace.lboro.ac.uk/2134/35938.

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This thesis describes the use of heterobimetallic alkyne complexes for use in an efficient stereoselective variant of the Pauson-Khand reaction. Unlike previous protocols found in the literature the source of chiral control upon cyclisation arises solely from the inherently chiral CoMoC2 core of these complexes and not from an external source. The inherently chiral Co(CO)3MoCp(CO)2- and desymmetrised Co2(CO)5(PPh3)-alkyne complexes were utilised as efficient chiral auxiliaries for nucleophilic additions to remote centres of complexed propargylic aldehydes to form secondary propargyl alcohols with a degree of diastereocontrol. A new procedure for the preparation of Co(CO)3MoCp(CO)2-alkyne complexes has also been addressed in which an adaptation of previously known methodology was devised for rapid and robust synthesis negating specialist techniques and procedures. The diastereoselective complexation of Co2(CO)7(PPh3) with a range of chiral alkynols has also been demonstrated with the view to bring about a stereoselective catalytic PK reaction procedure. Chapter 1 [is] an overview to the uses of dicobalt-alkyne complexes in the literature and developments in this field Chapter 2 highlights our research into the use of heterobimetallic-alkyne complexes for use in organic synthesis. Chapter 3 provides experimental data for our studies.
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Cairns, Gareth Alan. "Novel aspects of alkyne substituted transition metal complexes." Thesis, University of Bath, 1998. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242813.

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Books on the topic "Alkyne complexes"

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Dalton, Cormac T. Stereoselective alkene epoxidation using chromium salen complexes. Dublin: University College Dublin, 1998.

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Gungor, Muammer. The homogeneous catalytic deuteration of alkenes using rhodium complexes. London: North East London Polytechnic, 1985.

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Love, Jason B. Heterobimetallic polyhydride and alkyl polyhydride complexes of rhenium. Salford: University of Salford, 1993.

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Neill, David. Reactions of (azadiene)tricarbonyliron(0) complexes and bromine induced alkene/epoxide interactions. [s.l.]: typescript, 1991.

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Sanders, Christopher John. Biaryl chelate complexes for enantioselective epoxidation, aziridination and cyclopropanation of alkenes. [s.l.]: typescript, 2000.

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Coleman, A. P. Spectroscopic aspects of alkyl complexes of zinc, cadmium and mercury. Norwich: University of East Anglia, 1990.

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Shilov, A. E. Activation and catalytic reactions of saturated hydrocarbons in the presence of metal complexes. Boston: Kluwer Academic Publishers, 2000.

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Shilov, A. E. Activation and catalytic reactions of saturated hydrocarbons in the presence of metal complexes. Dordrecht: Kluwer Academic Publishers, 2000.

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Jaggar, Andrew J. The synthesis and reactions of cationic alkyl complexes of group (IV) transition metals. Norwich: University of East Anglia, 1992.

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Rudakov, E. S. Reakt͡s︡ii alkanov s okisliteli͡a︡mi, metallokompleksami i radikalami v rastvorakh. Kiev: Nauk. dumka, 1985.

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Book chapters on the topic "Alkyne complexes"

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Cinellu, Maria Agostina. "Gold-Alkyne Complexes." In Modern Gold Catalyzed Synthesis, 153–73. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527646869.ch6.

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Page, Michael J., D. Barney Walker, and Barbara A. Messerle. "Alkyne Activation Using Bimetallic Catalysts." In Homo- and Heterobimetallic Complexes in Catalysis, 103–37. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/3418_2015_148.

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Pauson, P. L. "Cyclopentenone Formation from Alkyne-Cobalt Complexes." In Organometallics in Organic Synthesis, 233–46. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/978-3-642-73196-9_12.

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Connelly, N. G. "Organometallic Electrochemistry of Metal Alkyne and Related Complexes." In Molecular Electrochemistry of Inorganic, Bioinorganic and Organometallic Compounds, 317–29. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1628-2_29.

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Pombeiro, Armando J. L. "Chemistry and Electrochemistry of Alkyne-and Isocyanide-Derived Carbyne Complexes of Rhenium, Molybdenum or Tungsten." In Transition Metal Carbyne Complexes, 105–21. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1666-4_13.

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Aime, S. "η2 σ-Vinyl-Metal Complexes by Addition of Hx to η2 π-Alkyne Complexes." In Inorganic Reactions and Methods, 240–42. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470145272.ch35.

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Reger, D. L. "η1 σ-Alkenyl Complexes by Nucleophilic Attack on π-Alkyne-and Allene-Metal Complexes." In Inorganic Reactions and Methods, 259–64. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470145272.ch39.

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Weiss, Karin, Georg Lößel, and Michael Denzner. "New Results on Alkene Metathesis and Alkyne Polymerisation with Heterogeneous Carbene Tungsten(VI) Complexes. Part XIX (1)." In Olefin Metathesis and Polymerization Catalysts, 521–24. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-011-3328-9_21.

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Griffith, William P. "Oxidation of Alkenes, Arenes and Alkynes." In Catalysis by Metal Complexes, 173–213. Dordrecht: Springer Netherlands, 2009. http://dx.doi.org/10.1007/978-1-4020-9378-4_3.

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Bhattacharyya, Sibaprasad, Sangita, and Jeffrey M. Zaleski. "Unique Metal-Diyne, -Enyne, and -Enediyne Complexes: Part of the Remarkably Diverse World of Metal-Alkyne Chemistry." In Progress in Inorganic Chemistry, 355–482. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2008. http://dx.doi.org/10.1002/9780470144428.ch6.

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Conference papers on the topic "Alkyne complexes"

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Wootton, Adam, Francois Picavez, Peter Harrowell, Michio Tokuyama, Irwin Oppenheim, and Hideya Nishiyama. "The Structure and Thermodynamic Stability of Reverse Micelles in Dry AOT∕Alkane Mixtures." In COMPLEX SYSTEMS: 5th International Workshop on Complex Systems. AIP, 2008. http://dx.doi.org/10.1063/1.2897802.

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Sahraoui, B., J. Luc, A. Meghea, R. Czaplicki, J. L. Fillaut, and A. Migalska-Zalas. "Alkynyl-ruthenium complexes for nonlinear optical applications." In 2008 2nd ICTON Mediterranean Winter (ICTON-MW). IEEE, 2008. http://dx.doi.org/10.1109/ictonmw.2008.4773092.

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Sanmartin, Raul, Esther Domínguez, Garazi Urgoitia, and María Teresa Herrero. "Diyne formation from alkynes in the presence of palladium pincer complexes." In MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition. Basel, Switzerland: MDPI, 2017. http://dx.doi.org/10.3390/mol2net-03-05090.

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Hansen, Flemming Y. "Structure and dynamics of monolayer films of n-alkane molecules adsorbed on graphite." In The 8th tohwa university international symposium on slow dynamics in complex systems. AIP, 1999. http://dx.doi.org/10.1063/1.58438.

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Aguilar, Enrique, Alexandra Pérez-Anes, Patricia García-García, and Manuel Fernández-Rodríguez. "Microwave-Accelerated Multi-Component Cascade Reactions Involving Fischer Alkoxy Alkynyl Carbene Complexes." In The 12th International Electronic Conference on Synthetic Organic Chemistry. Basel, Switzerland: MDPI, 2008. http://dx.doi.org/10.3390/ecsoc-12-01264.

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Frota, Carlise, Allan F. C. Rossini, Rogério A. Gariani, and Cristiano Raminelli. "Selective coupling reaction between 2,6-diiodoanisoles and terminal alkynes catalyzed by palladium complex." In 14th Brazilian Meeting on Organic Synthesis. São Paulo: Editora Edgard Blücher, 2013. http://dx.doi.org/10.5151/chempro-14bmos-r0057-1.

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Kalafut-Pettibone, Alicia J., Joseph P. Klems, and W. Sean McGivern. "High performance liquid chromatography study of complex oxygenated alkane mixtures from organic aerosols." In NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference. AIP, 2013. http://dx.doi.org/10.1063/1.4803301.

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Hansen, F. Y. "Analysis of the center of mass-, rotational- and intramolecular diffusive motions in a monolayer film of intermediate-length alkane molecules adsorbed on a solid surface." In SLOW DYNAMICS IN COMPLEX SYSTEMS: 3rd International Symposium on Slow Dynamics in Complex Systems. AIP, 2004. http://dx.doi.org/10.1063/1.1764123.

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Solis-Calero, C., PA Morais, FF Maia Jr, VN Freire, and HF Carvalho. "Explaining SARS-CoV-2 3CL Mpro binding to peptidyl Michael acceptor and a ketone-based inhibitors using Molecular fractionation with conjugate caps method." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol2020185.

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Abstract:
The main protease SARS-CoV-2 3CL Mpro (3CL-Mpro) is an attractive target for developing antiviral inhibitors due to its essential role in processing the polyproteins translated from viral coronavirus RNA. In this work, it was obtained non-covalent complexes of this protease with two distinct ligands, a peptidyl Michael acceptor (N3) and a ketone-based compound (V2M). The complexes were modeled from processed crystallographic data (PDB id: 6LU7 and 6XHM respectively) using combined quantum mechanics/molecular mechanics (QM/MM) calculations. The QM region was treated at the PBE-def2-SV(P) level, while the Amber-ff19SB force field was used to describe the MM region. The obtained models were used to perform calculations for describing the protease/ligand binding, based in the framework of the Density Functional Theory (DFT) and within the Molecular Fractionation with Conjugated Caps (MFCC) scheme. Our results have shown values for the total interaction energies of -111.84 and -111.64 kcal mol-1 having as ligands a N3 and V2M, respectively. Most importantly, it was possible to assess the relative individual amino acid energy contribution for the binding of both ligands considering residues around them up to 10 Å of radial distance. Residues Gln189, Met165, Glu166, His164, and Asn142 were identified as main interacting amino acid residues for both complexes, being their negative interaction energy contributions higher than -5.0 kcal mol-1. In the case of 3CL-Mpro/ V2M complex, we should add His41, Ser144, and Cys145 as main contributing residues. Our data also have shown that interactions of type π-amide, π-alkyl and alkyl-alkyl and carbon hydrogen bonds should be also considered in order to explain the binding of 3CL-Mpro with the selected inhibitors. Our results also determined that the carbonyl-L-leucinamide scaffold of both inhibitors is its main determinant of binding with a contribution to the energy of interaction of 54.51 and 50.69 kcal mol-1 for N3 and V2M, respectively.
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Karakas, A., T. Dag, A. Migalska-Zalas, Jean-Luc Fillaut, and B. Sahraoui. "Determination of dipole polarizabilities and second hyperpolarizabilities in alkynyl-ruthenium complexes using quantum-chemical calculations." In 2013 15th International Conference on Transparent Optical Networks (ICTON). IEEE, 2013. http://dx.doi.org/10.1109/icton.2013.6602902.

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Reports on the topic "Alkyne complexes"

1

Jordan, R. F. Synthesis and chemistry of cationic d sup 0 metal alkyl complexes. Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/6179256.

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Jordan, R. F. Synthesis and chemistry of cationic d sup 0 metal alkyl complexes. Office of Scientific and Technical Information (OSTI), January 1991. http://dx.doi.org/10.2172/6020649.

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Jordan, R. Synthesis and chemistry of cationic d sup O metal alkyl complexes. Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/7246016.

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Jordan, R. F. Synthesis and chemistry of cationic d{sup 0} metal alkyl complexes. Progress report, July 1988--May 1991. Office of Scientific and Technical Information (OSTI), December 1991. http://dx.doi.org/10.2172/10110882.

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Kelley, D. Kinetics and mechanisms of the reactions of alkyl radicals with oxygen and with complexes of Co(III), Ru(III), and Ni(III). Office of Scientific and Technical Information (OSTI), October 1990. http://dx.doi.org/10.2172/6454295.

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Lampland, Nicole Lynn. Beyond alkyl transfer: Synthesis of main group metal (Mg, Ca, Zn) silyl and tris(oxazolinyl)borato complexes and their stoichiometric and catalytic reactions with borane Lewis acids and carbonyls. Office of Scientific and Technical Information (OSTI), May 2015. http://dx.doi.org/10.2172/1417988.

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