Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs

András Rokob, Tibor; Hamza, Andrea; Stirling, András; Soós, Tibor; Pápai, Imre

doi:10.1002/anie.200705586

Public

Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs

Published in Angewandte Chemie International Edition • Feb 20, 2008

Authors:

Tibor András Rokob

Andrea Hamza

András Stirling

Abstract

Just before splitting: A mechanistic model has been proposed for H2 activation by sterically demanding phosphine–borane Lewis pairs. There is theoretical evidence for noncovalent intermolecular association of donor–acceptor molecules to form a flexible but energetically strained complex, which provi...

Subject

Frustrated Lewis pair

Heterolysis

Borane

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