A Comparison of the Lewis Basicity of Diamidocarbenes and Diaminocarbenes

Chin-Hung Lai

doi:10.1071/CH14555

RESEARCH ARTICLE

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A Comparison of the Lewis Basicity of Diamidocarbenes and Diaminocarbenes

Chin-Hung Lai

+ Author Affiliations

- Author Affiliations

School of Medical Applied Chemistry, and the Department of Medical Education, Chung Shan Medical University, 402, Taichung, Taiwan. Email: chlai125@csmu.edu.tw

Australian Journal of Chemistry 68(7) 1084-1090 https://doi.org/10.1071/CH14555
Submitted: 11 September 2014 Accepted: 14 November 2014 Published: 16 February 2015

Abstract

In this study, density functional theory calculations, using the M06-2X functional, were performed to investigate the efficiencies of various carbenes in inducing hydrogen abstraction in BH₃ through the formation of a Lewis acid–base pair with BH₃. The density functional theory results indicate that diamidocarbenes are more efficient in reducing the B–H bond energy of BH₃ than diaminocarbenes. Natural bond orbital and combined charge and bond energy analyses were performed to investigate the Lewis acid–base pair formed by BH₃ and the title carbenes.

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A Comparison of the Lewis Basicity of Diamidocarbenes and Diaminocarbenes

Abstract

References

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