无机环化合物多并苯类似物的芳香性
Aromaticity in Polyacene Analogues of Inorganic Ring Compounds
摘要:
本文首次报道了几种无机环化合物(BN-并苯、CN-并苯、BO-并苯和Na ~ 6-并苯)的多并苯类似物的芳香性。概念密度泛函理论为基础的反应性描述符和核独立化学位移(NICS)的值在此分析中使用。
英文摘要:
The aromaticity in the polyacene analogues of several inorganic ring compounds (BN-acenes, CN-acenes, BO-acenes and Na6-acenes) is reported here for the first time. Conceptual density functional theory based reactivity descriptors and the nucleus independent chemical shift (NICS) values are used in this analysis.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。