trans-Carbonylchlorobis(tribenzylphosphine)-rhodium(I)
(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
- Muller, A ; Roodt, A ; Otto, S ; Oskarsson, Åke LU and Yong, S
- organization
- publishing date
- 2002
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Acta Crystallographica Section E: Structure Reports Online
- volume
- 58
- issue
- 12
- pages
- 715 - 717
- publisher
- International Union of Crystallography
- external identifiers
-
- wos:000179267300013
- ISSN
- 1600-5368
- DOI
- 10.1107/S1600536802019980
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Organic chemistry (S/LTH) (011001240)
- id
- 25a52aa3-8da8-46c1-9b0f-0fbf989cb587 (old id 323611)
- date added to LUP
- 2016-04-01 16:50:46
- date last changed
- 2018-11-21 20:44:39
@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 = {{International Union of Crystallography}},
series = {{Acta Crystallographica Section E: Structure Reports Online}},
title = {{trans-Carbonylchlorobis(tribenzylphosphine)-rhodium(I)}},
url = {{http://dx.doi.org/10.1107/S1600536802019980}},
doi = {{10.1107/S1600536802019980}},
volume = {{58}},
year = {{2002}},
}