The mechanism of H2 activation by B(C6F5)3 and P(mes)3 was investigated by isothermal reaction calorimetry, and the heat curves generated were modelled in Berkeley Madonna. The reaction is treated as a single, termolecular step, and an Eyring analysis gave activation parameters of ?H‡ = 13.6(9) kJ mol-1 and ?S‡ = -204(85) J K-1 mol-1. The enthalpy of the reaction was found to be -141 kJ mol-1. The kinetic isotope effect was measured as 1.1, consistent with a four-center transition state containing two isotopically exchangeable atoms.
Revised: May 2, 2019 |
Published: November 23, 2017
Citation
Houghton A.Y., and S. Autrey. 2017.Calorimetric Study of the Activation of Hydrogen by Tris(pentafluorophenyl)borane and Trimesitylphosphine.Journal of Physical Chemistry A 121, no. 46:8785-8790.PNNL-SA-128390.doi:10.1021/acs.jpca.7b08582