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异金属戊搭烯是否具有芳香性?一项密度泛函理论研究。

Are Hetero-metallapentalenes Aromatic or Not? A DFT Investigation.

作者信息

Zhu Qin, Lin Lu, Qiu Rulin, Zhu Jun

机构信息

State Key Laboratory of Physical Chemistry of Solid Surfaces and, Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P. R. China.

出版信息

Chemistry. 2020 Apr 24;26(24):5307. doi: 10.1002/chem.202000848.

Abstract

Invited for the cover of this issue is Jun Zhu at Xiamen University. The image depicts the aromaticity of hetero-metallapentalenes with different metal (Fe, Co, Ni, Ru, Rh, Re, Os, Ir) centers and heteroatoms (B, N, and O) obtained by computational investigation. Read the full text of the article at 10.1002/chem.202000148.

摘要

本期的封面文章由厦门大学的朱军受邀撰写。图片展示了通过计算研究得到的具有不同金属(铁、钴、镍、钌、铑、铼、锇、铱)中心和杂原子(硼、氮和氧)的杂金属戊搭烯的芳香性。可在10.1002/chem.202000148阅读该文章全文。

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