Published in
Royal Society of Chemistry, Dalton Transactions, 25(48), p. 9214-9224, 2019
DOI: 10.1039/c9dt01489f
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A molecular electron density theory study of the insertion of CO into frustrated Lewis pair boron-amidines: a [4 + 1] cycloaddition reaction
Journal article published in 2019 by
Mar Ríos-Gutiérrez 
,
Luis R. Domingo ,
René S. Rojas ,
Alejandro Toro-Labbé ,
Patricia Pérez
,
Luis R. Domingo ,
René S. Rojas ,
Alejandro Toro-Labbé ,
Patricia Pérez
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Abstract
The insertion of CO into hydrogenated boron-amidine yielding five-membered diazaborolone has been studied within the molecular electron density theory (MEDT) at the DFT ωB97X-D/6-311G(d,p) level.