Kinetics and mechanism of halide exchange in reactions of CpRu(PPh3)2Cl with alkyl halides: evidence for radical pairs

Sijia Dong

Findings from CILS member Sijia Dong and colleagues: Density functional theory calculations on potential intermediates suggests that a pathway leading to CpRu(PPh3)(Cl)(Br)˙ is more likely than oxidative addition, which is preferred in reactions of 1 with bromoethane.