Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3)
Hayes SA, Berger R, Neumann B, Mitzel NW, Bader J, Hoge B (2010)
DALTON TRANSACTIONS 39(24): 5630-5636.
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Autor*in
Hayes, Stuart A.;
Berger, RaphaelUniBi 
;
Neumann, BeateUniBi;
Mitzel, Norbert W.UniBi;
Bader, JuliaUniBi;
Hoge, BertholdUniBi
;
Neumann, BeateUniBi;
Mitzel, Norbert W.UniBi;
Bader, JuliaUniBi;
Hoge, BertholdUniBiEinrichtung
Abstract / Bemerkung
The structure of tris(pentafluoroethyl) phosphane, P(C2F5)(3), has been determined in the solid state by in situ single crystal growth and subsequent X-ray diffraction and in the gas phase by electron diffraction. The experimental structure determinations have been supported by and compared to quantum chemical calculations at different levels of theory. P(C2F5)(3) prefers a conformation of C-3 symmetry with the CF3 groups of the three C2F5 units oriented to the same side of the molecule as the phosphorus lone pair of electrons, leading to an estimated Tolman cone angle of 193 degrees (solid) and 191 degrees (gas), whereas a second stable conformer of C-3 symmetry, (only 5 kJ mol(-1) higher in energy) has a smaller Tolman cone angle of 171 degrees. The structures are discussed in context with related molecules E(CF3)(3) (E = N, P, As, Sb) as well as N(C2F5)(3) and P(C2H5)(3).
Erscheinungsjahr
2010
Zeitschriftentitel
DALTON TRANSACTIONS
Band
39
Ausgabe
24
Seite(n)
5630-5636
ISSN
1477-9226
eISSN
1477-9234
Page URI
https://pub.uni-bielefeld.de/record/1795460
Zitieren
Hayes SA, Berger R, Neumann B, Mitzel NW, Bader J, Hoge B. Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3). DALTON TRANSACTIONS. 2010;39(24):5630-5636.
Hayes, S. A., Berger, R., Neumann, B., Mitzel, N. W., Bader, J., & Hoge, B. (2010). Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3). DALTON TRANSACTIONS, 39(24), 5630-5636. https://doi.org/10.1039/c001310b
Hayes, Stuart A., Berger, Raphael, Neumann, Beate, Mitzel, Norbert W., Bader, Julia, and Hoge, Berthold. 2010. “Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3)”. DALTON TRANSACTIONS 39 (24): 5630-5636.
Hayes, S. A., Berger, R., Neumann, B., Mitzel, N. W., Bader, J., and Hoge, B. (2010). Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3). DALTON TRANSACTIONS 39, 5630-5636.
Hayes, S.A., et al., 2010. Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3). DALTON TRANSACTIONS, 39(24), p 5630-5636.
S.A. Hayes, et al., “Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3)”, DALTON TRANSACTIONS, vol. 39, 2010, pp. 5630-5636.
Hayes, S.A., Berger, R., Neumann, B., Mitzel, N.W., Bader, J., Hoge, B.: Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3). DALTON TRANSACTIONS. 39, 5630-5636 (2010).
Hayes, Stuart A., Berger, Raphael, Neumann, Beate, Mitzel, Norbert W., Bader, Julia, and Hoge, Berthold. “Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)(3)”. DALTON TRANSACTIONS 39.24 (2010): 5630-5636.
Daten bereitgestellt von European Bioinformatics Institute (EBI)
6 Zitationen in Europe PMC
Daten bereitgestellt von Europe PubMed Central.
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PMID: 29315901
Klösener J, Wiesemann M, Niemann M, Neumann B, Stammler HG, Hoge B., Chemistry 24(17), 2018
PMID: 29315901
Pentafluoroethylated Compounds of Silicon, Germanium and Tin.
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PMID: 29722451
Wiesemann M, Hoge B., Chemistry 24(62), 2018
PMID: 29722451
Pentafluoroethyl-substituted α-silanes: model compounds for new insights.
Waerder B, Steinhauer S, Reuter CG, Bader J, Neumann B, Stammler HG, Vishnevskiy YV, Hoge B, Mitzel NW., Dalton Trans 44(29), 2015
PMID: 26132269
Waerder B, Steinhauer S, Reuter CG, Bader J, Neumann B, Stammler HG, Vishnevskiy YV, Hoge B, Mitzel NW., Dalton Trans 44(29), 2015
PMID: 26132269
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Ueda K, Miron C, Plésiat E, Argenti L, Patanen M, Kooser K, Ayuso D, Mondal S, Kimura M, Sakai K, Travnikova O, Palacios A, Decleva P, Kukk E, Martín F., J Chem Phys 139(12), 2013
PMID: 24089766
Ueda K, Miron C, Plésiat E, Argenti L, Patanen M, Kooser K, Ayuso D, Mondal S, Kimura M, Sakai K, Travnikova O, Palacios A, Decleva P, Kukk E, Martín F., J Chem Phys 139(12), 2013
PMID: 24089766
Chlorobis(pentafluoroethyl)phosphane: improved synthesis and molecular structure in the gas phase.
Hayes SA, Berger RJ, Mitzel NW, Bader J, Hoge B., Chemistry 17(14), 2011
PMID: 21384448
Hayes SA, Berger RJ, Mitzel NW, Bader J, Hoge B., Chemistry 17(14), 2011
PMID: 21384448
First solid-state structures of real diorganyl phosphinous acids R2POH (R=CF3, C2F5).
Bader J, Berger RJ, Stammler HG, Mitzel NW, Hoge B., Chemistry 17(48), 2011
PMID: 22052837
Bader J, Berger RJ, Stammler HG, Mitzel NW, Hoge B., Chemistry 17(48), 2011
PMID: 22052837
42 References
Daten bereitgestellt von Europe PubMed Central.
Velazco, Organometallics 27(), 2008
Apel, Z. Anorg. Allg. Chem. 453(), 1979
Bennett, J. Chem. Soc. (), 1953
Mahler, Inorg. Chem. 18(), 1979
Murphy-Jolly, Chem. Commun. (), 2005
Gusev, Organometallics 28(), 2009
Apel, Z. Anorg. Allg. Chem. 453(), 1979
Sipachev, THEOCHEM 121(), 1985
Ahlrichs, Phys. Chem. Chem. Phys. 6(), 2004
Weigend, Theor. Chem. Acc. 97(), 1997
Weigend, Chem. Phys. Lett. 294(), 1998
Haase, J. Comput. Chem. 14(), 1993
Schäfer, J. Chem. Phys. 100(), 1994
Mitzel, Dalton Trans. (), 2003
Blake, J. Phys. Chem. 100(), 1996
Synthesis of Volatile Cyclic Silylamines and the Molecular Structures of Two 1-Aza-2,5-disilacyclopentane Derivatives.
Mitzel NW, Schmidbaur H, Rankin DW, Smart BA, Hofmann M, Schleyer PR., Inorg Chem 36(20), 1997
PMID: 11670093
Mitzel NW, Schmidbaur H, Rankin DW, Smart BA, Hofmann M, Schleyer PR., Inorg Chem 36(20), 1997
PMID: 11670093
Mitzel, J. Phys. Chem. 100(), 1996
Bürger, J. Mol. Struct. 54(), 1979
Marsden, Inorg. Chem. 15(), 1976
Bowen, Trans. Faraday Soc. 50(), 1954
Gaensslen, Angew. Chem. 104(), 1992
Bruckmann, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 51(), 1995
Bock, Angew. Chem., Int. Ed. Engl. 30(), 1991
Mitzel, Chem. Ber. 125(), 1992
Mitzel, Chem. Ber. 127(), 1994
Mitzel, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 51(), 1995
Mitzel, J. Am. Chem. Soc. 118(), 1996
A Steeply Pyramidal Silylamine: N,O-Dimethyl-N-silylhydroxylamine.
Mitzel NW, Oberhammer H., Inorg Chem 37(14), 1998
PMID: 11670449
Mitzel NW, Oberhammer H., Inorg Chem 37(14), 1998
PMID: 11670449
Tolman, Chem. Rev. 77(), 1977
Dunne, J. Chem. Soc., Dalton Trans. (), 1991
Burg, Inorg. Chem. 25(), 1986
Velazco, Organometallics 27(), 2008
Sheldrick, Acta Crystallogr., Sect. A: Found. Crystallogr. 46(), 1990
Ahlrichs, Chem. Phys. Lett. 162(), 1989
Becke, J. Chem. Phys. 98(), 1993
Lee, Phys. Rev. B 33(), 1988
Miehlich, Chem. Phys. Lett. 157(), 1989
Perdew, Phys. Rev. B: Condens. Matter 54(), 1996
Zeil, Z. Instr. 74(), 1966
Gundersen, J. Mol. Struct. 832(), 2007
Hinchley, Dalton Trans. (), 2004
Berger, Z. Naturforsch. 64b(), 2009
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