The impact of weak C-H...Rh interactions on the structure and reactivity of trans-[Rh(CO)2(phosphine)2]+: an experimental and theoretical examination.
The crystal structure of the new cationic Rh(I) complex trans-[Rh(CO)(2)(L)(2)]BF(4) (L=alpha(2)-(diisopropylphosphino)isodurene) was found to exhibit a nonlinear OC-Rh-CO fragment and weak intramolecular C-H...Rh interactions. These interactions, which have also been shown to occur in solution, have been examined by density functional theory calculations and found to be inextricably linked to the presence of the distorted OC-Rh-CO fragment. This linkage has also been demonstrated by comparison with a highly similar Rh(I) complex, in which these C-H...Rh interactions are absent. Furthermore, the presence of these weak interactions has been shown to have a significant effect on the reactivity of the metal center.
Montag
Michael
M
Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76000, Israel.
Efremenko
Irena
I
Cohen
Revital
R
Leitus
Gregory
G
Shimon
Linda J W
LJ
Diskin-Posner
Yael
Y
Ben-David
Yehoshoa
Y
Martin
Jan M L
JM
Milstein
David
D