title: Competition between C-C and C-H insertion in prototype transition metal-hydrocarbon reactions.
abstract: The competition between C-C and C-H insertion in model transition-metal reactions with cyclopropane and propene (C3H6) was studied as a function of total energy. Insertion of neutral transition metal atoms M (= Y, Zr, Nb, and Mo*) into the C-C bonds of cyclopropane led to formation of MCH2 + C2H4, whereas C-H insertion produced MC3H4 + H2. The measured product branching ratios verify the relative potential energy barrier heights for C-C and C-H insertion predicted by ab initio calculations.
authors.affiliation: Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14583, USA.
authors.forename: Ryan Z
authors.initials: RZ
authors.lastname: Hinrichs
authors.forename: Jonathan J
authors.initials: JJ
authors.lastname: Schroden
authors.forename: H Floyd
authors.initials: HF
authors.lastname: Davis