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1

Bonath, Martin, Verena M. Birkelbach, Christoph Stuhl, Cäcilia Maichle-Mössmer, and Reiner Anwander. "Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation." Chemical Communications 57, no. 64 (2021): 7918–21. http://dx.doi.org/10.1039/d1cc03024h.

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Lanthanocene Cp*<sub>2</sub>La(AlMe<sub>4</sub>) affords selective metalation of tetrahydrofuran to the 2-tetrahydrofuranyl derivative Cp*<sub>2</sub>La(2-AlMe<sub>3</sub>-OC<sub>4</sub>H<sub>7</sub>), while the yttrium reaction leads to THF degradation.
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2

Kucera, Benjamin E., Victor G. Young, William W. Brennessel, and John E. Ellis. "Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)3][V2(anthracene)2]." Acta Crystallographica Section C Structural Chemistry 78, no. 3 (2022): 148–63. http://dx.doi.org/10.1107/s2053229622001255.

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Reduction of bis(naphthalene)vanadium(0) by potassium naphthalene (KNp) in tetrahydrofuran (THF) provides a highly reactive, thermolabile, and so far unisolable brown substance, which affords the first reported derivatives of bis(naphthalene)vanadates. From these solutions, thermally stable (298 K) and structurally characterized compounds have been obtained, including dark-red rods of catena-poly[bis(μ3-η4:η6:η4-naphthalene)tetrakis(tetrahydrofuran)dipotassiumvanadium], [K2V(C4H8O)4(C10H8)2] n or [K(THF)2]2[V(C10H8)2] (3), and red plates of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexa
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3

Chappell, SD, LM Engelhardt, CL Raston та AH White. "Structural Characterization of Di-μ-hydroxo-bis[trichloro(tetrahydrofuran)tin(II)] Bis(tetrahydrofuran)". Australian Journal of Chemistry 41, № 7 (1988): 1123. http://dx.doi.org/10.1071/ch9881123.

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The title compound [( thf )Cl3Sn(OH)2SnCl3( thf )].2thf ( thf = tetrahydrofuran ) has been characterized by single-crystal X-ray structure determination, allowing comparison of its geometry with the recently recorded [( thf )BrCl2Sn(OH)2Cl2Br( thf )].2thf,1 with which it is isomorphous.
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4

Westerhausen, Matthias, and Wolfgang Schwarz. "Neuartige Synthese und Molekülstruktur von Benzylkalium (thf) [KCH2C6H5]2 / Novel Synthesis and Molecular Structure of Benzyl Potassium (thf)[KCH2C6H5]2." Zeitschrift für Naturforschung B 53, no. 5-6 (1998): 625–27. http://dx.doi.org/10.1515/znb-1998-5-620.

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Abstract The reaction of potassium with hexamethyldi-stannane in a refluxing solvent mixture of toluene and tetrahydrofuran (ratio 10:1) yields the red tetrahydrofuran adduct of benzyl potassium (thf)[KCH2C6H5]2 due to the metalation of toluene by the potassium trimethylstannanide intermediate. The solid state structure of (thf)[KCH2C6H5]2 contains dimers with only one potassium coordinated to a tetrahydrofuran molecule. These dimers form a polymer through benzyl bridging with shortest K-C distances at 292 pm.
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5

Kang, Oon Lee, Azizan Ahmad, Usman Ali Rana, and Nur Hasyareeda Hassan. "Sol-Gel Titanium Dioxide Nanoparticles: Preparation and Structural Characterization." Journal of Nanotechnology 2016 (2016): 1–7. http://dx.doi.org/10.1155/2016/5375939.

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Titanium dioxide (TiO2) nanoparticle was achieved in an alternative sol-gel route, as involved in 1 M acidic solution: HCl-tetrahydrofuran (HCl-THF), HNO3-tetrahydrofuran (HNO3-THF), and ClHNO2-tetrahydrofuran (ClHNO2-THF) solution. Resultant TiO2 nanoparticle was further investigated in a systematic analytical approach. Nanoscale TiO2 structure was observed at a moderate hydrolysis ratio (8≤RH≤16). Particle size range was much narrower in an aprotic HNO3-THF medium, as compared to a differential HCl-THF medium. Biphasic TiO2 structure was detected at a certain hydrolysis ratio (RH≥16). Even s
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6

Churakov, Andrei V., Dmitry P. Krut'ko, Maxim V. Borzov, Roman S. Kirsanov, Sergei A. Belov та Judith A. K. Howard. "Di-μ-pyridyl-1:2κ2 N:C 2;2:1κ2 N:C 2-μ-tetrahydrofuran-κ2 O:O-bis[bromo(tetrahydrofuran)magnesium(II)] tetrahydrofuran hemisolvate". Acta Crystallographica Section E Structure Reports Online 62, № 5 (2006): m1094—m1096. http://dx.doi.org/10.1107/s1600536806013742.

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The title compound, [Mg2Br2(C5H4N)2(C4H8O)3]·0.5C4H8O, contains dimeric associations of Mg atoms bridged by tetrahydrofuran (THF) molecules. The coordination polyhedron of the Mg atom is a slightly distorted MgCNO2Br trigonal bipyramid with two THF molecules in the axial positions. One O atom occupies a site with symmetry 2.
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7

Ellis, John E., Mikhail E. Minyaev, Ilya E. Nifant'ev, and Andrei V. Churakov. "Scandium complexes with the tetraphenylethylene and anthracene dianions." Acta Crystallographica Section C Structural Chemistry 74, no. 6 (2018): 769–81. http://dx.doi.org/10.1107/s2053229618007295.

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The structural study of Sc complexes containing dianions of anthracene and tetraphenylethylene should shed some light on the nature of rare-earth metal–carbon bonding. The crystal structures of (18-crown-6)bis(tetrahydrofuran-κO)sodium bis(η6-1,1,2,2-tetraphenylethenediyl)scandium(III) tetrahydrofuran disolvate, [Na(C4H8O)2(C12H24O6)][Sc(C26H20)2]·2C4H8O or [Na(18-crown-6)(THF)2][Sc(η6-C2Ph4)2]·2(THF), (1b), (η5-1,3-diphenylcyclopentadienyl)(tetrahydrofuran-κO)(η6-1,1,2,2-tetraphenylethenediyl)scandium(III) toluene hemisolvate, [Sc(C17H13)(C26H20)(C4H8O)]·0.5C7H8or [(η5-1,3-Ph2C5H3)Sc(η6-C2Ph4
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8

Kloubert, Tobias, Helmar Görls, and Matthias Westerhausen. "3-Phenyl-5-(2-pyridyl)pyrazolato Complexes of Lithium, Magnesium, Calcium, and Zinc." Zeitschrift für Naturforschung B 67, no. 6 (2012): 519–31. http://dx.doi.org/10.5560/znb.2012-0085.

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Metalation of 3-phenyl-5-(2-pyridyl)pyrazole (HPz, 1) with alkyllithium and -zinc compounds in tetrahydrofuran (thf) yields dinuclear products [(thf)Li(Pz)]2 (2) and [MeZn(Pz)]2 (3), respectively. Magnesiation of 1 with diethylmagnesium in tetrahydrofuran in the presence of 1,4-dioxane leads to cocrystallization of mononuclear [(thf)2Mg(Pz)2] (4a) and [(diox)2Mg(Pz)2] (4b). Metalation of 1 with KH followed by a metathesis reaction with CaI2 in tetrahydrofuran leads to the formation of dinuclear [{(thf)2Ca}(m-Pz)3Ca(Pz)] (5) with the calcium atoms in different coordination environments. The lig
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9

Matějka, Libor, Lubomír Lochmann, and Pavel Schmidt. "An infrared study of interactions in the system sodium tert-butoxide-tetrahydrofuran." Collection of Czechoslovak Chemical Communications 54, no. 2 (1989): 308–15. http://dx.doi.org/10.1135/cccc19890308.

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The adduct of sodium tert-butoxide (t-BuONa) with tetrahydrofuran (THF) was studied by measuring changes of infrared spectra in the range 900-1100 cm-1. Alkoxide autoassociation and solvation of this associate by tetrahydrofuran play a role in adduct formation. In hydrocarbon solvents in the presence of minor amounts of THF, higher t-BuONa associates are dissociated, the preffered form being a tetramer solvated by three THF molecules. At large excess of THF, the tetramer is solvated by four THF molecules. The stability constant of the adduct, referred to one Na-O bond, is 5.01.
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10

Pombeiro, A. J. L., A. Hills, D. L. Hughes, and R. L. Richards. "[MoH4(dppe)2].thf (dppe = Ph2PCH2CH2PPh2; thf = Tetrahydrofuran)." Acta Crystallographica Section C Crystal Structure Communications 51, no. 1 (1995): 23–26. http://dx.doi.org/10.1107/s0108270194007559.

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11

Nöth, Heinrich, and Ralf Waldhör. "The Structure of Lithiumiodide 3-Tetrahydrofuran." Zeitschrift für Naturforschung B 53, no. 12 (1998): 1525–27. http://dx.doi.org/10.1515/znb-1998-1217.

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Abstract LiI-3THF was obtained from the reaction of tmp2AH (tmp = tetramethylpiperidino) with Li-AsHPh in toluene/THF. It is more, conveniently prepared from LiH and iodine in THF. It forms molecule in the lattice, the Li ion being tetracoor-dinated in a slightly distorted tetrahedral fashion.
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12

Herbst-Irmer, Regine, and George M. Sheldrick. "Refinement of obverse/reverse twins." Acta Crystallographica Section B Structural Science 58, no. 3 (2002): 477–81. http://dx.doi.org/10.1107/s0108768102001039.

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Two examples of structures of obverse/reverse twins are presented. Example (1) is the structure of 2,2,4,4,6,6-hexa-tert-butylcyclotrisiloxane. It crystallizes in R\overline 3c. Example (2) is the structure of [{Li(Me3Si)3CAlF3(thf)}3LiF(thf)], tris[lithiuim tetrahydrofuran (trimethylsilyl)methyltrifluoroaluminate]lithium fluoride tetrahydrofuran. It crystallizes in R3. Additional to the obverse/reverse twinning this structure shows merohedral twinning. It will be shown how these two structures can be refined with the SHELXL program.
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13

Deacon, GB, TC Feng, S. Nickel, MI Ogden та AH White. "Organoamido- and Aryloxo-lanthanoids. IV. Synthesis and X-Ray Structures of Low-Coordinate [Yb(O-2,4,6-But3C6H2)3(thf)] and [Yb(O-2,4,6-But3C6H2)2(μ-OH)(thf)]2 (thf = Tetrahydrofuran)". Australian Journal of Chemistry 45, № 4 (1992): 671. http://dx.doi.org/10.1071/ch9920671.

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Reaction of Yb ( Otbp )2( thf )3( tbp = 2,4,6 But3C6H2; thf = tetrahydrofuran ) with TlOtbp in tetrahydrofuran at room temperature yields thallium metal and Yb( Otbp )3( thf ) (1), which was also obtained by redox transmetallation between TlOtbp and ytterbium metal in refluxing tetrahydrofuran . Some [ Yb ( Otbp )2( �-OH) (thf)]2 (2) was also isolated from the first synthesis and is derived from hydrolysis of Yb ( Otbp )3( thf ) by traces of water. The X-ray crystal structure of (1) [triclinic, P1, a 21.78(1), b 13.89(2), c 10.461(4)� , α; 109.03(5), β 99.03(3), γ; 98.34(5)�, Z 2, No = 4354 'o
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14

Girigiri, Patience B., Stephanie H. Carpenter, William W. Brennessel та Michael L. Neidig. "Crystal structure of bromidopentakis(tetrahydrofuran-κO)magnesium bis[1,2-bis(diphenylphosphanyl)benzene-κ2 P,P′]cobaltate(−1) tetrahydrofuran disolvate". Acta Crystallographica Section E Crystallographic Communications 75, № 2 (2019): 304–7. http://dx.doi.org/10.1107/s2056989019001671.

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Structural characterization of the ionic title complex, [MgBr(THF)5][Co(dpbz)2]·2THF [THF is tetrahydrofuran, C4H8O; dpbz is 1,2-bis(diphenylphosphanyl)benzene, C30H24P2], revealed a well-separated cation and anion co-crystallized with two THF solvent molecules that interact with the cation via weak C—H...O contacts. The geometry about the cobalt center is pseudotetrahedral, as is expected for a d 10 metal center, only deviating from an ideal tetrahedral geometry because of the restrictive bite angles of the bidentate phosphane ligands. Three THF ligands of the cation and one co-crystallized T
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15

Rittmeyer, P., and D. Hauk. "Thermostabilität von Vinylmagnesiumchlorid in Tetrahydrofuran / Thermal Stability of Vinylmagnesium Chloride in Tetrahydrofuran." Zeitschrift für Naturforschung B 48, no. 9 (1993): 1223–26. http://dx.doi.org/10.1515/znb-1993-0910.

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An incident at Chemetall’s pilot plant installation during the distillation of dilute solutions of vinylmagnesium chloride in THF caused us to investigate the thermal stability of this Grignard reagent. The on-set temperature for the exothermic decomposition depends on the concentration of the solution. Experiments under isoperibolic conditions provided further information for the determination of safety rules for work with vinylmagnesium chloride.
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16

Wang, Jian, Nicholas A. Morra, Hongda Zhao, et al. "Synthesis and first X-ray structures of cobalt(II) and cobalt(III) complexes bearing 2,4-dioxo-alkanoic acid dialkylamide ligands." Canadian Journal of Chemistry 87, no. 1 (2009): 328–34. http://dx.doi.org/10.1139/v08-151.

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The aerobic oxidation of 5-hydroxy pentenes to trans-tetrahydrofurans (THFs), the Mukaiyama oxidation, has in recent years emerged as a powerful tool in synthetic chemistry. In this report we describe the first crystal structures of 2,4-dioxo-alkanoic acid dialkylamide complexes for both Co(II) and Co(III) salts. The Co(II) structures show an unprecedented arrangement of atoms, with a central Co(II)(H2O)6 flanked by two Co(II) atoms each coordinated with three anionic chelating ligands. The dimeric Co(III) structures show two anionic chelating ligands and bridging hydroxyl groups.Key words: ae
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17

Ramos-Martinez, Moises, Gerardo Ortiz-Torres, Felipe D. J. Sorcia-Vázquez, et al. "Plantwide Control for the Separation of THF-H2O in an Azeotropic Distillation Process." ChemEngineering 8, no. 6 (2024): 127. https://doi.org/10.3390/chemengineering8060127.

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This paper presents a plantwide control strategy for optimizing a pressure-swing azeotropic distillation process used in tetrahydrofuran dehydration. Leveraging Skogestad’s methodology, this strategy focused on two distillation columns: a low-pressure column for water recovery at 20 psia and a high-pressure column that achieved 0.99 molar fraction purity of tetrahydrofuran at 115 psia. This study identified critical control variables through plant analysis by implementing PI controllers in the regulatory control layer to stabilize flows and pressures. In the supervisory control layer, a PI con
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18

Zhou, Gui-Ji, Peng-Xiang Xu, Yong Yeb, and Yu-Fen Zhao. "Electrospray Ionization Tandem Mass Spectrometry Investigation of the Polymerization of Tetrahydrofuran Initiated by Phosphorus Oxychloride." European Journal of Mass Spectrometry 11, no. 3 (2005): 319–24. http://dx.doi.org/10.1255/ejms.742.

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Phosphorus oxychloride was found to induce ring opening of tetrahydrofuran (THF) to synthesize THF oligomer incorporated phosphate. Electrospray ionization multi-stage tandem mass spectrometry was used to study the products and confirm the structures.
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19

Ionescu, Mihail, Ioana Mihalache, Viorica Zugravu, Stanca Mihai, and Serban Sever. "Polyether Triols, Tetrahydrofuran-Alkyleneoxides Copolymers for Flexible Polyurethane Foams." Cellular Polymers 14, no. 3 (1995): 1–27. http://dx.doi.org/10.1177/0262489319951403003.

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The study presents a new process for the synthesis of polyether triols, tetrahydrofuran (THF)-alkyleneoxides copolymers for flexible polyurethane foams, by the cationic ring opening copolymerization of THF and propyleneoxide (PO) and/or ethyleneoxide (EO), initiated by glycerol or trimethylolpropane as starters. By using the principles of “activated monomer mechanism", (a new achievement in the cationic polymerization of alkyleneoxides), in the adopted reaction conditions, the equilibrium polymerization of THF and the formation of undesired cyclic oligomers (from alkyleneoxides) are suppressed
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20

MAHENDRA, NATH ROY, NANDI DEBASIS, and K. HAZRA D. "Conductance Studies of Alkali Metal Chlorides and Bromides in Aqueous Binary Mixtures of Tetrahydrofuran at 25°." Journal of Indian Chemical Society Vol. 70, Feb 1993 (1993): 121–24. https://doi.org/10.5281/zenodo.5910517.

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Department of Chemistry, North Bengal University, Darjeeling-734 430 <em>Manuscript received 16 November 1992, accepted 2 December 1992</em> Precise conductance measurements are reported&nbsp;&nbsp;for alkali metal chlorides and bromides, MX (M<sup>+</sup> = Li, Na, K, Rb and Cs ; x<sup>-</sup>=CI and Br) in tetrahydrofuran (THF) + water mixtures at 25&deg;. The limiting molar conductivity (\(\Lambda\)<sup>0 </sup>) the associatien constant (<em>K</em><sub>A</sub>) and association distance (<em>R</em>) in the solvent mixtures have been evaluated using the Fuoss conductance equation (1978). The
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21

Schmidt, Eva S., Annette Schier, Norbert W. Mitzel, and Hubert Schmidbaur. "A Simple High-Yield Synthesis of Gallium(I) Tetrachlorogallate(III) and the Reaction of Digallium Tetrachloride Tetrahydrofuran Solvate with 1,2-Diols." Zeitschrift für Naturforschung B 56, no. 4-5 (2001): 337–41. http://dx.doi.org/10.1515/znb-2001-4-502.

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Abstract Gallium(I) tetrachlorogallate(III) Ga[GaCU] was prepared in quantitative yield by thermal de­composition of dichlorogallane [HGaCl2]2, which is readily available from Et3SiH and [GaCl3]2. The reaction of catechol with solutions of this gallium(I) tetrachlorogallate(III) in tetrahydrofuran leads to the evolution of hydrogen gas and affords a dinuclear gallium(III) complex with penta-coordinate metal atoms chelated and bridged by mono-deprotonated catechol ligands. In the crystalline phase tetrahydrofuran molecules are hydrogen-bonded to the hydroxy groups: [Ga(1,2 -OC6H4OH)Cl2(C4H8O)]2
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22

Rotter, Markus, Matthias Mastalir, Mathias Glatz, Berthold Stöger, and Karl Kirchner. "Crystal structure of the tetrahydrofuran disolvate of a 94:6 solid solution of [N2,N6-bis(di-tert-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II) and its monophosphine oxide analogue." Acta Crystallographica Section E Crystallographic Communications 73, no. 9 (2017): 1308–11. http://dx.doi.org/10.1107/s2056989017011276.

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The MnBr2complex ofN2,N6-bis(di-tert-butylphosphanyl)pyridine-2,6-diamine (1·MnBr2) co-crystallizes with 5.69% of the monophosphine oxide analogue (1O·MnBr2) and two tetrahydrofuran (THF) molecules, namely [N2,N6-bis(di-tert-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)–[bis(di-tert-butylphosphanyl)({6-[(di-tert-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)–tetrahydrofuran (0.94/0.06/2), [MnBr2(C21H41N3P2)]0.94[MnBr2(C21H41N3OP2)]0.06·2C4H8O. The1·MnBr2and1O·MnBr2complexes are occupationally disordered about general positions. Both complexes feat
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23

Brieger, Lukas, Andreas Hermann, Christian Unkelbach, and Carsten Strohmann. "Crystal structure and quantum-chemical calculations of a trimethylaluminium–THF adduct." Acta Crystallographica Section E Crystallographic Communications 74, no. 2 (2018): 267–70. http://dx.doi.org/10.1107/s2056989018001275.

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The title compound, trimethyl(tetrahydrofuran-κO)aluminium(III), [Al(CH3)3(C4H8O)], is an addition product of trimethylaluminium and tetrahydrofuran (THF). Instead of a dimeric structure, which is very common for these types of compounds, a monomeric molecular structure is observed. The C—Al—C angles in the molecule are very different from the C—Al—C angles found in dimeric molecular structures, leading to a different symmetry around the AlIII atom. The reasons for these differences are discussed.
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Nookaraju, U., та Pradeep Kumar. "Total synthesis of (+)-petromyroxol via tandem α-aminoxylation–allylation and asymmetric dihydroxylation–SN2 cyclization approach". RSC Advances 5, № 78 (2015): 63311–17. http://dx.doi.org/10.1039/c5ra10405j.

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Liu, Gang, Mingdi Yang, Lianke Wang, et al. "Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability." J. Mater. Chem. C 2, no. 15 (2014): 2684–91. http://dx.doi.org/10.1039/c3tc32591a.

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26

Chen, Hung-Cheng, Andrew R. Cook, Sadayuki Asaoka, Jeffery S. Boschen, Theresa L. Windus, and John R. Miller. "Escape of anions from geminate recombination in THF due to charge delocalization." Physical Chemistry Chemical Physics 19, no. 48 (2017): 32272–85. http://dx.doi.org/10.1039/c7cp05880b.

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Gao, Jiabin, Mohan M. Bhadbhade, and Roger Bishop. "Solvent–guest control of two extremely similar tetrahydrofuran inclusion structures." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 70, no. 1 (2014): 126–31. http://dx.doi.org/10.1107/s2052520613031727.

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Racemic 2,4,6,8-tetracarbomethoxybicyclo[3.3.0]octa-2,6-diene-3,7-diol, C16H18O10(1), was known previously to yield two solvent-free polymorphs and also a clathrate inclusion crystal form. Crystallization of (1) yields two inclusion compounds containing tetrahydrofuran (THF): (1)4·THF is obtained from a mixture of THF and methanol, whereas (1)2·THF is obtained from pure THF. The X-ray crystal structures reveal that the two compounds are extremely similar and that their host arrangements are essentially identical. They differ, however, in the proportion, orientation and host–guest interaction o
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28

G., R. WILLEY, J. WOODMAN T., and ERRINGTON W. "Identification of Erbium(III) Chloride Solvate ErCl3(thf)3.5 : Crystal and Molecular Structure of the Ion-pair [trans-ErCI2(tht)5][trans-ErCI4(tht)2]." Journal of Indian Chemical Society Vol. 75, Aug 1998 (1998): 435–38. https://doi.org/10.5281/zenodo.5926464.

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Department of Chemistry, University of Warwick, Coventry, CV4 7AL, U.K. <em>Manuscript received 12 December 1997, accepted 23 February 1998</em> ErCI<sub>3</sub>(thf)<sub>3.5</sub> has been identified by an X-ray diffraction study as the ionic salt [<em>trans</em>-ErCl<sub>2</sub>(thf)<sub>5</sub>1[<em>trans</em>-ErCl<sub>4</sub>(thf)<sub>2</sub>]. The monocation features a seven-coordinate erbium atom with a <em>trans</em>-ErCl<sub>2</sub> unit (Er-CI, 2.563(2) &Aring;) surrounded by five tetrahydrofuran molecules (Er-O, in the range 2.383(8)-2.393(8) &Aring;) in a regular pentagonal bipyrami
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29

Deacon, GB, BM Gatehouse, S. Nickel та SN Platts. "Organoamido- and Aryloxo-lanthanoids. III. Preparation and X-Ray Structure of Bis(μ-3,5-dimethylpyrazolato-N:N′)bis(μ-tetrahydrofuran-O)-bis[bis(η2-3,5-dimethylpyrazolato-N,N')neodymium(III)]". Australian Journal of Chemistry 44, № 4 (1991): 613. http://dx.doi.org/10.1071/ch9910613.

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Reaction of neodymium metal with bis ( pentafluorophenyl )mercury and pyrazole ( Hpz ) or 3,5-dimethylpyrazole ( Hdmpz ) in tetrahydrofuran ( thf ) yields Nd ( pz )3 or [ Nd ( dmpz )3( thf )]2. X-Ray crystallography has shown that [Nd (dmpz )3( thf )]2 [triclinic, space group Pī (No. 2), a 11.070(4), b 11.364(3), c 10.867(2)Ǻ, α 103.00(1), β 120.78(3), γ 97.68(2)°, R 0.0235, Rw 0.0247 for 5575 observed reflections] has a novel centrosymmetric dimeric structure. Each neodymium is eight-coordinate (4,4 bicapped trigonal prism) with two terminal chelating dmpz ligands [ Nd -N 2.400(2), 2.413(3),
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30

Wheeler, Kraig A., Travis R. Helgren та Thomas W. Clayton. "The bimolecular structure of aquahexa-μ-chlorido-μ4-oxido-tris(tetrahydrofuran-κO)tetracopper(II)–hexa-μ-chlorido-μ4-oxido-tetrakis(tetrahydrofuran-κO)tetracopper(II)–tetrahydrofuran (2/1/4)". Acta Crystallographica Section C Structural Chemistry 70, № 3 (2014): 306–11. http://dx.doi.org/10.1107/s205322961400374x.

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The title bimolecular structure, [Cu4Cl6O(C4H8O)3(H2O)]2[Cu4Cl6O(C4H8O)4]·4C4H8O, at 100 K has monoclinic (P21/c) symmetry. The structure contains nine symmetry-independent molecules expressed in simplest molecular form as 6[Cu4Cl6O(C4H8O)3(H2O)·2(C4H8O)]:3Cu4Cl6O(C4H8O)4. The compound exhibits a supercell (smaller than the unit cell based on weak reflections) structure due to pseudotranslational symmetry. The structure displays O—H...O hydrogen bonding between bound water ligands and tetrahydrofuran (THF) solvent molecules. The structure exhibits disorder for 12 of the THF molecules, of which
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31

Smith, Micholas Dean, Loukas Petridis, Xiaolin Cheng, Barmak Mostofian, and Jeremy C. Smith. "Enhanced sampling simulation analysis of the structure of lignin in the THF–water miscibility gap." Physical Chemistry Chemical Physics 18, no. 9 (2016): 6394–98. http://dx.doi.org/10.1039/c5cp07088k.

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Using temperature replica-exchange molecular dynamics, we characterize a globule-to-coil transition for a softwood-like lignin biopolymer in a tetrahydrofuran (THF)–water cosolvent system at temperatures at which the cosolvent undergoes a de-mixing transition.
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32

Lense, Sheri, Ilia A. Guzei, Jessica Andersen, and Kong Choua Thao. "Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety." Acta Crystallographica Section E Crystallographic Communications 74, no. 5 (2018): 731–36. http://dx.doi.org/10.1107/s2056989018006047.

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The structures of two facially coordinated Group VII metal complexes are reported, namely: fac-bromido[2-(2,2′-bipyridin-6-yl)benzoic acid-κ2 N,N′]tricarbonylmanganese(I) tetrahydrofuran monosolvate, [MnBr(C17H12N2O2)(CO)3]·C4H8O, I, and fac-[2-(2,2′-bipyridin-6-yl)benzoic acid-κ2 N,N′]tricarbonylchloridorhenium(I) tetrahydrofuran monosolvate, [ReCl(C17H12N2O2)(CO)3]·C4H8O, II. In both complexes, the metal ion is coordinated by three carbonyl ligands, a halide ion, and a 2-(2,2′-bipyridin-6-yl)benzoic acid ligand, in a distorted octahedral geometry. In manganese complex I, the tetrahydrofuran
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33

Tyagi, Akanksha, Akira Yamamoto, Muneaki Yamamoto, Tomoko Yoshida, and Hisao Yoshida. "Direct cross-coupling between alkenes and tetrahydrofuran with a platinum-loaded titanium oxide photocatalyst." Catalysis Science & Technology 8, no. 10 (2018): 2546–56. http://dx.doi.org/10.1039/c8cy00129d.

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34

Minyaev, Mikhail E., Andrei V. Churakov, and Ilya E. Nifant'ev. "Structural diversity of polynuclear Mg x O y cores in magnesium phenoxide complexes." Acta Crystallographica Section C Structural Chemistry 73, no. 11 (2017): 854–61. http://dx.doi.org/10.1107/s2053229617012657.

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The binuclear complex bis(2,6-di-tert-butyl-4-methylphenolato)-1κO,2κO-(1,2-dimethoxyethane-1κ2 O,O′)bis(μ-phenylmethanolato-1:2κ2 O:O)(tetrahydrofuran-2κO)dimagnesium(II), [Mg2(C7H7O)2(C15H23O)2(C4H8O)(C4H10O2)] or [(BHT)(DME)Mg(μ-OBn)2Mg(THF)(BHT)], (I), was obtained from the complex [(BHT)Mg(μ-OBn)(THF)]2 by substitution of one tetrahydrofuran (THF) molecule with 1,2-dimethoxyethane (DME) in toluene (BHT is O-2,6- t Bu2-4-MeC6H4 and Bn is benzyl). The trinuclear complex bis(2,6-di-tert-butyl-4-methylphenolato)-1κO,3κO-tetrakis(μ-2-methylphenolato)-1:2κ4 O:O;2:3κ4 O:O-bis(tetrahydrofuran)-1κ
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35

Zeng, H., L. D. Wilson, V. K. Walker, and J. A. Ripmeester. "The inhibition of tetrahydrofuran clathrate-hydrate formation with antifreeze protein." Canadian Journal of Physics 81, no. 1-2 (2003): 17–24. http://dx.doi.org/10.1139/p03-001.

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The effect of Type I fish antifreeze protein (AFP) from the winter flounder, Pleuronectes americanus (Walbaum), (WfAFP) on the formation of tetrahydrofuran (THF) clathrate hydrate was studied by observing changes in THF crystal morphology and determining the induction time for nucleation. AFP retarded THF clathrate-hydrate growth at the tested temperatures and modified the THF clathrate-hydrate crystal morphology from octahedral to plate-like. AFP appears to be even more effective than the kinetic inhibitor, polyvinylpyrrolidone (PVP). Recombinant AFP from an insect, a spruce budworm, Choristo
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36

Zhou, Junli, Rong Ni, and Ying Chau. "Polymeric vesicle formation via temperature-assisted nanoprecipitation." RSC Advances 7, no. 29 (2017): 17997–8000. http://dx.doi.org/10.1039/c7ra01959a.

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37

Desmet, Gilles B., Maarten K. Sabbe, Dagmar R. D'hooge, et al. "Thiol-Michael addition in polar aprotic solvents: nucleophilic initiation or base catalysis?" Polymer Chemistry 8, no. 8 (2017): 1341–52. http://dx.doi.org/10.1039/c7py00005g.

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The thiol-Michael addition of ethanethiol to ethyl acrylate, methyl vinylsulfone and maleimide initiated by ethyl-, diethyl-, triethylamine and triethylphosphine in tetrahydrofuran (THF) is investigated at room temperature.
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38

Ren, Hao, Hanbo Li, Haixia Wang, Hui Huang, and Zhenmei Lu. "Biodegradation of Tetrahydrofuran by the Newly Isolated Filamentous Fungus Pseudallescheria boydii ZM01." Microorganisms 8, no. 8 (2020): 1190. http://dx.doi.org/10.3390/microorganisms8081190.

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Tetrahydrofuran (THF) is widely used as a precursor for polymer syntheses and a versatile solvent in industries. THF is an environmental hazard and carcinogenic to humans. In the present study, a new THF-degrading filamentous fungus, Pseudallescheria boydii ZM01, was isolated and characterized. Strain ZM01 can tolerate a maximum THF concentration of 260 mM and can completely degrade 5 mM THF in 48 h, with a maximum THF degradation rate of 133.40 mg THF h−1 g−1 dry weight. Growth inhibition was not observed when the initial THF concentration was below 150 mM, and the maximum THF degradation rat
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39

Aigeldinger, Elisabeth, Lilliana Brandao, Troy Powell, et al. "Crystal structure of a trifluoromethyl benzoato quadruple-bonded dimolybdenum complex." Acta Crystallographica Section E Crystallographic Communications 78, no. 2 (2022): 154–58. http://dx.doi.org/10.1107/s205698902200010x.

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The study of quadruple bonds between transition metals, in particular those of dimolybdenum, has revealed much about the two-electron bond. The solid-state structure of the quadruple-bonded dimolybdenum(II) complex tetrakis[μ-4-(trifluoromethyl)benzoato-κ2 O:O′]bis[(tetrahydrofuran-κO)molybdenum(II)] 0.762-pentane 0.238-tetrahydrofuran solvate, [Mo2(p-O2CC6H4CF3)4·2THF]·0.762C5H12·0.238C4H8O or [Mo2(C8H4F3O2)4(C4H8O)2]·0.762C5H12·0.238C4H8O is reported. The complex crystallizes within a triclinic cell and low symmetry (P\overline{1}) results from the intercalated pentane/THF solvent molecules.
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40

Tampier, Stefan, and Nicolai Burzlaff. "Heteroscorpionate complexes based on bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetate." Acta Crystallographica Section C Crystal Structure Communications 69, no. 9 (2013): 981–85. http://dx.doi.org/10.1107/s0108270113021148.

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The heteroscorpionate ligand bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetate (bdtbpzdta) has been synthesized by reacting bis(3,5-di-tert-butylpyrazol-1-yl)methane withn-BuLi and CS2. The ligand was isolated as [bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetato](tetrahydrofuran)lithium(I) tetrahydrofuran monosolvate, [Li(C24H39N4S2)(C4H8O)]·C4H8O or [Li(bdtbpzdta)(THF)]·THF, in which the lithium cation is bound by the κ3N,N′,S-coordinated heteroscorpionate ligand. A similar coordination mode is observed for a zinc chloride complex bearing the bdtbpzdta ligand, namely [bis(3,5-di-tert-butylpyrazo
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41

Gutiérrez, Mario, Félix Sánchez, and Abderrazzak Douhal. "Spectral and dynamical properties of a Zr-based MOF." Physical Chemistry Chemical Physics 18, no. 7 (2016): 5112–20. http://dx.doi.org/10.1039/c5cp04436g.

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42

Muraoka, Michihiro, Naoko Susuki, and Yoshitaka Yamamoto. "Evaluation of the performance of kinetic inhibitors for clathrate hydrate using unidirectional growth apparatus." RSC Advances 6, no. 68 (2016): 63880–85. http://dx.doi.org/10.1039/c6ra06122b.

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We study the formation of tetrahydrofuran (THF) clathrate hydrate from polyvinylpyrrolidone (PVP) aqueous solution as a function of growth rate V and adsorbed PVP concentration c using the unidirectional growth technique.
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43

Gärtner, Stefanie, Tobias Gärtner, Ruth-Maria Gschwind, and Nikolaus Korber. "About the polymorphism of [Li(C4H8O)3]I: crystal structures of trigonal and tetragonal polymorphs." Acta Crystallographica Section E Structure Reports Online 70, no. 12 (2014): 555–58. http://dx.doi.org/10.1107/s160053681402529x.

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Two new trigonal and tetragonal polymorphs of the title compound, iodidotris(tetrahydrofuran-κO)lithium, are presented, which both include the isolated ion pair Li(THF)3+·I−. One Li—I ion contact and three tetrahydrofuran (THF) molecules complete the tetrahedral coordination of the lithium cation. The three-dimensional arrangement in the two polymorphs differs notably. In the trigonal structure, the ion pair is located on a threefold rotation axis of space groupP-3 and only one THF molecule is present in the asymmetric unit. In the crystal, strands of ion pairs parallel to [001] are observed w
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44

Liu, Jinxiang, Yujie Yan, Youguo Yan, and Jun Zhang. "Tetrahydrofuran (THF)-Mediated Structure of THF·(H2O)n=1–10: A Computational Study on the Formation of the THF Hydrate." Crystals 9, no. 2 (2019): 73. http://dx.doi.org/10.3390/cryst9020073.

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Tetrahydrofuran (THF) is well known as a former and a promoter of clathrate hydrates, but the molecular mechanism for the formation of these compounds is not yet well understood. We performed ab initio calculations and ab initio molecular dynamics simulations to investigate the formation, structure, and stability of THF·(H2O)n=1–10 and its significance to the formation of the THF hydrate. Weak hydrogen bonds were found between THF and water molecules, and THF could promote water molecules from the planar pentagonal or hexagonal ring. As a promoter, THF could increase the binding ability of the
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45

DEBASIS, NANDI, NATH ROY MAHENDRA, and KUMAR HAZRA DILIP. "Electrical Conductances for Tetraalkylammonium Bromides, LiBF4 and LiAsF6 in Tetrahydrofuran at 25°." Journal of Indian Chemical Society Vol. 70, Apr-May 1993 (1993): 305–10. https://doi.org/10.5281/zenodo.5913963.

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Department of Chemistry, North Bengal University. Darjeeling-734 430 <em>Manuscript received 23 December 1992</em> Electrical conductance data have been reported for tetraalkylammonium bromides, R<sub>4</sub>NBr (R = butyl to heptyl), lithium tetrafluoroborate (LiBF<sub>4</sub>) and lithium hexafluoroarsenate (LiAsF<sub>6</sub>) in tetrahydrofuran (THF) at 25<sup>&deg;</sup>. Analysis of data by the Fuoss-Kraus theory of conductance reveals the presence of both ion-pairs and triple ions. The ion-pair <em>(K</em>p<em>) </em>and triple-ion (K<sub>T</sub>) formation constants of these salts in te
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46

Xu, Lei, Shaoyin Sun, Xing Zhang, Haofei Gao, and Wei Wang. "Study on the selective hydrogenation of isophorone." RSC Advances 11, no. 8 (2021): 4465–71. http://dx.doi.org/10.1039/d0ra08107h.

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The selective hydrogenation of isophorone to TMCH can be influenced by the tetrahydrofuran solvent. The conversion of isophorone is 100%, and the yield of 3,3,5-trimethylcyclohexanone is 98.1% under RANEY® Ni and THF.
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47

Zhao, Jian-Ping, Rui-Qin Liu, Zhi-Hao Jiang, and Sheng-Di Bai. "Crystal structure ofN′-(2,6-dimethylphenyl)benzenecarboximidamide tetrahydrofuran monosolvate." Acta Crystallographica Section E Crystallographic Communications 71, no. 1 (2015): o28—o29. http://dx.doi.org/10.1107/s2056989014026255.

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The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine molecules (AandB) with slightly different conformations and two tetrahydrofuran (THF) solvent molecules. In the amidine molecules, the dimethylphenyl ring and the NH2group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (moleculeA) and 58.88 (6) ° (moleculeB). In the crystal, N—H...N hydrogen bonds link the amidine molecules into [100]C(4) chains of alternatingAandBmolecules. Both amidine molecules form an N—H...O hydrogen bond to an adjacent THF solvent molecul
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48

Deacon, GB, CM Forsyth, WC Patalinghug, AH White, A. Dietrich, and H. Schumann. "Organolanthanoids. XVII. The Synthesis of Bis(diphenylphosphinocyclopentadienyl)ytterbium(II) and Derived Heterobimetallic Complexes [Yb(thf)n(C5H4PPh2)2Z] [Z=Ni(CO)2, Mo(CO)4 or PtMe2; n = 1 or 2; thf = Tetrahydrofuran]. The X-Ray Crystal-Structure of [Yb(thf)2(C5H4PPh2)2Ni(CO)2]." Australian Journal of Chemistry 45, no. 3 (1992): 567. http://dx.doi.org/10.1071/ch9920567.

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Reaction of diphenylphosphinocyclopentadiene with Yb (C6F5)2 or with ytterbium metal and Hg(C6F5)2 in tetrahydrofuran ( thf ) gives, after workup with toluene, the phosphinoytter-bocene , [Yb (C5H4PPh2)2( thf )]. Treatment with thf or with N,N,N′,N′- tetramethylethane-1,2-diamine ( tmen ) yields [ Yb (C5H4PPh2)2L2] (L = thf or L2 = tmen ). Redox trans- metallation between ytterbium metal and Tl (C5H4PPh2) in l,2-dimethoxyethane ( dme ) gives thallium metal and [ Yb (C5H4PPh2)2(dme )]. The ytterbium-transition metal hetero-bimetallics [ Yb ( thf ) (C2H4PPh2)2Z]. nPhMe [Z = Ni(CO)2, Mo(CO)4 or P
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49

Bergs, David J., Malcolm H. Chisholm, Kirsten Folting, John C. Huffman, and Karlheinz A. Stahl. "Preparation and characterization of the heptachlorobis(tetrahydrofuran)ditungstate and octachloro(tetrahydrofuran)ditungstate anions: [Ph4P][W2Cl7(THF)2] and [Ph4P][W2Cl8(THF)]." Inorganic Chemistry 27, no. 17 (1988): 2950–54. http://dx.doi.org/10.1021/ic00290a012.

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50

Muraoka, Michihiro, Michika Ohtake, and Yoshitaka Yamamoto. "Kinetic inhibition effect of Type I and III antifreeze proteins on unidirectional tetrahydrofuran hydrate crystal growth." RSC Advances 9, no. 20 (2019): 11530–37. http://dx.doi.org/10.1039/c9ra00627c.

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Experiments were performed to evaluate the kinetic inhibition effect of Type I and Type III antifreeze proteins (AFPs) on the growth of tetrahydrofuran (THF) clathrate hydrate crystals using the unidirectional growth technique.
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