How metallylenes activate small molecules

Author:

Vermeeren Pascal12345ORCID,Doppert Michael T.12345,Bickelhaupt F. Matthias12345ORCID,Hamlin Trevor A.12345ORCID

Affiliation:

1. Department of Theoretical Chemistry

2. Amsterdam Institute of Molecular and Life Sciences (AIMMS)

3. Amsterdam Center for Multiscale Modeling (ACMM)

4. Vrije Universiteit Amsterdam

5. 1081 HV Amsterdam

Abstract

Quantum chemical analyses reveal how model metallylene catalysts activate H2. This is the first step towards the rational design of metallylenes for the activation of small molecules and subsequent reactions.

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Vrije Universiteit Amsterdam

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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