Abstract
(Figure Presented) A new picture of H2 activation is given by state-of-the-art quantum chemical calculations of potential energy surfaces and transition states and a thorough theoretical analysis. Key factors for activation of H2 and other small molecules by so-called frustrated Lewis pairs (FLP) are entrance (preparation) steps and the electric field strength inside the FLP cavity. © 2010 Wiley-VCH Verlag GmbH &. Co. KGaA,.
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