Ab initio calculations of field substituent parameters and evaluation of substituent parameters through substituent effects on stability of ketenimines, isocyanides, and nitriles

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8 引文 斯高帕斯(Scopus)

摘要

Field substituent parameters of 26 substituents were calculated by ab initio calculations at the level of CBS-4M. The field substituent parameters, along with resonance substituent parameter σR, group electronegativity i, and polarizability parameter σa, correlate well with stabilization energies (SE) of ketenimines, isocyanides, and nitriles, providing useful information about substituent electronic effects on the stability of ketenimines, isocyanides, and nitriles.

原文English
頁(從 - 到)1658-1661
頁數4
期刊Journal of the Chemical Society, Perkin Transactions 2
發行號10
出版狀態Published - 2002 10月 29

All Science Journal Classification (ASJC) codes

  • 化學 (全部)

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