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揭示碳硼烷稠合磷杂环的真实身份。

Unveiling the True Identity of Carborane-Fused Phosphorus Heterocycles.

作者信息

Gál Dalma, Szántai Lóránt, Buzsáki Dániel, Kelemen Zsolt

机构信息

Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Műegyetem Rkp. 3, 1111 Budapest, Hungary.

Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary.

出版信息

Org Lett. 2025 Jun 6;27(22):5637-5641. doi: 10.1021/acs.orglett.5c01374. Epub 2025 May 26.

Abstract

In recent years, the possible global 2D/3D aromaticity of carborane-fused cycles has been widely debated. While phosphorus heterocycles fused with carboranes are known, the 2D aromatic character in carborane-fused phospholes was only recently reported. However, our computational study found that these compounds lack 2D aromaticity. Instead, they should be viewed not as a fusion of an aromatic ring but as a fusion of an unsaturated ring with carboranes.

摘要

近年来,碳硼烷稠合环可能具有的全局二维/三维芳香性一直备受广泛争议。虽然与碳硼烷稠合的磷杂环是已知的,但碳硼烷稠合的磷茂中的二维芳香特性直到最近才被报道。然而,我们的计算研究发现这些化合物缺乏二维芳香性。相反,它们不应被视为芳香环的稠合,而应被视为不饱和环与碳硼烷的稠合。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a87/12150315/01cd9c76b92b/ol5c01374_0004.jpg

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