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.

Download
Es wurde kein Volltext hochgeladen. Nur Publikationsnachweis!
Zeitschriftenaufsatz | Veröffentlicht | Englisch
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
Zeitschriftentitel
DALTON TRANSACTIONS
Band
39
Zeitschriftennummer
24
Seite
5630-5636
ISSN
eISSN
PUB-ID

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. doi:10.1039/c001310b
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.

6 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

Synthesis and Reactivity of Donor-Stabilized Bis(pentafluoroethyl)stannylene [Sn(C2 F5 )2 (D)n ] (D=THF, DMAP, PMe3 , [Sn(C2 F5 )3 ]- ).
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.
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
Intramolecular photoelectron diffraction in the gas phase.
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
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

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, 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

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

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®

Quellen

PMID: 20379589
PubMed | Europe PMC

Suchen in

Google Scholar