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Royal Society of Chemistry, RSC Advances, 33(10), p. 19562-19569, 2020

DOI: 10.1039/d0ra03428b

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Computational understanding of catalyst-controlled borylation of fluoroarenes: directed vs. undirected pathway

Journal article published in 2020 by Yu-Hua Liu ORCID, Zhong-Jie Jiang ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

In this work, density functional theory (DFT) calculations are performed to understand the origin of the regioselective C–H borylation of aromatics catalyzed by Co(i)/iPrPNP and Ir(iii)/dtbpy (4,4-di-tert-butyl bipyridine).