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Theoretical investigation on the effect of the ligand on bis-silylation of C(sp)–C(sp) by Ni complexes

Density functional theory is used to study the bis-silylation of alkyne catalysed by a transition metal nickel–organic complex. The active catalyst, organic ligand, reaction mechanism, and rate-determining step were discussed with regard to dynamics and thermodynamics. COD or SIPr (COD = cyclooctadi...

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Detalles Bibliográficos
Autores principales:	Hui, Li, Yuhan, He, Jiaqi, Wang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8979076/ https://www.ncbi.nlm.nih.gov/pubmed/35425119 http://dx.doi.org/10.1039/d1ra08153e

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