trans-Carbonyl­chloro­bis­(tri­benzyl­phosphine)­rhodium(I)

✍ Scribed by Muller, Alfred ;Roodt, Andreas ;Otto, Stefanus ;Oskarsson, Åke ;Yong, Shen

• Publisher: International Union of Crystallography
• Year: 2002
• Tongue: English
• Weight: 145 KB
• Volume: 58
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s1600536802019980

✦ Synopsis

The title compound, [RhCl(PBz 3 ) 2 (CO)] [PBz 3 = tribenzylphosphine, P(C 7 H 7 ) 3 ], which is the ®rst reported tribenzyl-phosphine±rhodium(I) structure, has pseudo-square-planar coordination geometry, with RhÐP bond distances of 2.3164 (15) and 2.3156 (16) A Ê . The RhÐCl, RhÐC and CÐ O bond distances are 2.3654 (15), 1.783 (6) and 1.162 (6) A Ê , respectively, and the angles PÐRhÐP, PÐRhÐCl (2 occurrences) and CÐRhÐCl are 177.67 (6), 90.86 (5), 87.11 (5) and 178.55 (17) , respectively. Effective cone angles for PBz 3 are 170 and 172 , while the Tolman cone angles are 171 and 173 . Each tribenzylphosphine has one benzyl C atom close to the coordination plane, with CÐPÐRhÐCO torsion angles of À1.6 (3) and À30.2 (3) , and with the benzyl C atoms in a gauche conformation relative to the PÁ Á ÁP 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.