title: 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.
abstract: 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.
authors.affiliation: Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76000, Israel.
authors.forename: Michael
authors.initials: M
authors.lastname: Montag
authors.forename: Irena
authors.initials: I
authors.lastname: Efremenko
authors.forename: Revital
authors.initials: R
authors.lastname: Cohen
authors.forename: Gregory
authors.initials: G
authors.lastname: Leitus
authors.forename: Linda J W
authors.initials: LJ
authors.lastname: Shimon
authors.forename: Yael
authors.initials: Y
authors.lastname: Diskin-Posner
authors.forename: Yehoshoa
authors.initials: Y
authors.lastname: Ben-David
authors.forename: Jan M L
authors.initials: JM
authors.lastname: Martin
authors.forename: David
authors.initials: D
authors.lastname: Milstein