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January 1, 2017Dalton Transactions

The mechanism for catalytic hydrosilylation by bis(imino)pyridine iron olefin complexes supported by broken symmetry density functional theory

Yan Choi Lam Robert J. Nielsen William A. Goddard Aswini K. Dash

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Abstract

Broken-symmetry DFT supports a concerted migration of hydrogen from silane to olefin as the rate-determing step.

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Lam et al. (2017) studied this question.

synapsesocial.com/papers/6a1e0c9f348274ea529fc8ca https://doi.org/10.1039/c7dt02300f

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