Computational design of transition metal catalysts for hydrodefluorination of trifluoromethylarenes using hydrosilane

Author:

Worakul Thanapat1ORCID,Sawatlon Boodsarin2ORCID,Surawatanawong Panida13ORCID

Affiliation:

1. Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Mahidol University, Bangkok 10400, Thailand

2. Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand

3. Center of Sustainable Energy and Green Materials, Mahidol University, Salaya, Nakhon Pathom 73170, Thailand

Abstract

To describe the catalytic activity of hydrodefluorination by nickel complexes using molecular volcano plots, multiple reference states must be considered.

Funder

National Research Council of Thailand

Faculty of Science, Mahidol University

Office of the Permanent Secretary, Ministry of Higher Education, Science, Research and Innovation, Thailand

Chulalongkorn University

Publisher

Royal Society of Chemistry (RSC)

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