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trans-Carbonylchlorobis(tribenzylphosphine)-rhodium(I)

Muller, A; Roodt, A; Otto, S; Oskarsson, Åke LU and Yong, S (2002) In Acta Crystallographica Section E: Structure Reports Online 58(12). p.715-717
Abstract
The title compound, [ RhCl( PBz(3))(2)( CO)] [ PBz(3) = tribenzylphosphine, P(C7H7)(3)], which is the first reported tribenzylphosphine - rhodium( I) structure, has pseudo- square- planar coordination geometry, with Rh - P bond distances of 2.3164 ( 15) and 2.3156 ( 16) Angstrom. The Rh - Cl, Rh - C and C - O bond distances are 2.3654 ( 15), 1.783 ( 6) and 1.162 ( 6) Angstrom, respectively, and the angles P - Rh - P, P - Rh - Cl ( 2 occurrences) and C - Rh - Cl are 177.67 ( 6), 90.86 ( 5), 87.11 ( 5) and 178.55 ( 17)degrees, respectively. Effective cone angles for PBz(3) are 170 and 172degrees, while the Tolman cone angles are 171 and 173degrees. Each tribenzylphosphine has one benzyl C atom close to the coordination plane, with C - P - Rh... (More)
The title compound, [ RhCl( PBz(3))(2)( CO)] [ PBz(3) = tribenzylphosphine, P(C7H7)(3)], which is the first reported tribenzylphosphine - rhodium( I) structure, has pseudo- square- planar coordination geometry, with Rh - P bond distances of 2.3164 ( 15) and 2.3156 ( 16) Angstrom. The Rh - Cl, Rh - C and C - O bond distances are 2.3654 ( 15), 1.783 ( 6) and 1.162 ( 6) Angstrom, respectively, and the angles P - Rh - P, P - Rh - Cl ( 2 occurrences) and C - Rh - Cl are 177.67 ( 6), 90.86 ( 5), 87.11 ( 5) and 178.55 ( 17)degrees, respectively. Effective cone angles for PBz(3) are 170 and 172degrees, while the Tolman cone angles are 171 and 173degrees. Each tribenzylphosphine has one benzyl C atom close to the coordination plane, with C - P - Rh - CO torsion angles of. 1.6 ( 3) and. 30.2 ( 3)degrees, and with the benzyl C atoms in a gauche conformation relative to the P ... P axis. DFT ( density functional theory) calculations, optimizing the geometry of the complex in the gas phase, approximately reproduce this conformation, showing that it is only slightly affected by the crystal- packing arrangement. (Less)
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author
organization
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type
Contribution to journal
publication status
published
subject
in
Acta Crystallographica Section E: Structure Reports Online
volume
58
issue
12
pages
715 - 717
publisher
Wiley-Blackwell
external identifiers
  • wos:000179267300013
ISSN
1600-5368
DOI
10.1107/S1600536802019980
language
English
LU publication?
yes
id
25a52aa3-8da8-46c1-9b0f-0fbf989cb587 (old id 323611)
date added to LUP
2007-11-02 12:29:22
date last changed
2016-04-16 04:58:16
@article{25a52aa3-8da8-46c1-9b0f-0fbf989cb587,
  abstract     = {The title compound, [ RhCl( PBz(3))(2)( CO)] [ PBz(3) = tribenzylphosphine, P(C7H7)(3)], which is the first reported tribenzylphosphine - rhodium( I) structure, has pseudo- square- planar coordination geometry, with Rh - P bond distances of 2.3164 ( 15) and 2.3156 ( 16) Angstrom. The Rh - Cl, Rh - C and C - O bond distances are 2.3654 ( 15), 1.783 ( 6) and 1.162 ( 6) Angstrom, respectively, and the angles P - Rh - P, P - Rh - Cl ( 2 occurrences) and C - Rh - Cl are 177.67 ( 6), 90.86 ( 5), 87.11 ( 5) and 178.55 ( 17)degrees, respectively. Effective cone angles for PBz(3) are 170 and 172degrees, while the Tolman cone angles are 171 and 173degrees. Each tribenzylphosphine has one benzyl C atom close to the coordination plane, with C - P - Rh - CO torsion angles of. 1.6 ( 3) and. 30.2 ( 3)degrees, and with the benzyl C atoms in a gauche conformation relative to the P ... P axis. DFT ( density functional theory) calculations, optimizing the geometry of the complex in the gas phase, approximately reproduce this conformation, showing that it is only slightly affected by the crystal- packing arrangement.},
  author       = {Muller, A and Roodt, A and Otto, S and Oskarsson, Åke and Yong, S},
  issn         = {1600-5368},
  language     = {eng},
  number       = {12},
  pages        = {715--717},
  publisher    = {Wiley-Blackwell},
  series       = {Acta Crystallographica Section E: Structure Reports Online},
  title        = {trans-Carbonylchlorobis(tribenzylphosphine)-rhodium(I)},
  url          = {http://dx.doi.org/10.1107/S1600536802019980},
  volume       = {58},
  year         = {2002},
}