A DFT study of hydrogen and methane activation by B(C6F5)(3)/P(t-Bu)(3) and Al(C6F5)(3)/P(t-Bu)(3) frustrated Lewis pairs-MedSci.cn

A DFT study of hydrogen and methane activation by B(C6F5)(3)/P(t-Bu)(3) and Al(C6F5)(3)/P(t-Bu)(3) frustrated Lewis pairs

Villegas-Escobar, N; Toro-Labbe, A; Becerra, M; Real-Enriquez, M; Mora, JR; Rincon, L

Rincon, L (reprint author), Univ San Francisco Quito, Grp Quim Computac Teor QCT USFQ, Diego de Robles & Via Interocean 17-1200-841, Quito, Ecuador.; Rincon, L (reprint author), Colegio Politecn Ciencias & Ingn, Inst Simulac Computac ISC USFQ, Diego de Ro

Abstract

This contribution presents a computational study aimed at understanding factors affecting barriers associated with the activation of the H-H bond in m......

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A DFT study of hydrogen and methane activation by B(C6F5)(3)/P(t-Bu)(3) and Al(C6F5)(3)/P(t-Bu)(3) frustrated Lewis pairs

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