Abstract by Josh Wheeler
Chemistry and Biochemistry
Dynamic Mechanisms of Transition Metal Mediated Beta-Hydrogen Transfer
The transfer of a β-hydrogen from a metal-alkyl group to ethylene is a fundamental organometallic transformation. Mechanisms proposed for this transformation involve either a two-step sequence with a metal hydride intermediate or a one-step pathway. This talk with discuss our DFT quasiclassical direct dynamics trajectories that reveal new dynamical mechanisms for the β-hydrogen transfer reaction between [Cp*RhIII(Et)]+ and ethylene.