DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers

Understanding the hydrogen atom abstraction (HAA) reactions of N-heterocyclic carbene (NHC)-boranes is essential for extending the practical applications of boron chemistry. In this study, density functional theory (DFT) computations were performed for the HAA reactions of a series of NHC-boranes at...

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Detalles Bibliográficos
Autores principales: Qu, Hong-jie, Yuan, Lang, Jia, Cai-xin, Yu, Hai-tao, Xu, Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7582687/
https://www.ncbi.nlm.nih.gov/pubmed/33019654
http://dx.doi.org/10.3390/molecules25194509

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7582687/
https://www.ncbi.nlm.nih.gov/pubmed/33019654
http://dx.doi.org/10.3390/molecules25194509

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