. Author manuscript; available in PMC: 2011 Oct 13.

Published in final edited form as: J Am Chem Soc. 2010 Oct 13;132(40):14092–14103. doi: 10.1021/ja1036644

Table 1.

Comparison of experimental and computational activation parameters for reductive elimination from 1.

	ΔH^‡(kcal·mol⁻¹)	ΔS^‡(cal·K⁻¹)	ΔG^‡₂₉₈(kcal·mol⁻¹)
Experiment	17.2 ± 2.7	−11.2 ± 9.4	20.5 ± 0.1
Computation	18.9	−7.5	21.2