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arXiv physics/0612165physics.atm-clus
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无机环化合物多并苯类似物的芳香性

Aromaticity in Polyacene Analogues of Inorganic Ring Compounds

Pratim Kumar Chattaraj, Debesh Ranjan Roy

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。

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