Planar or tetrahedral? A ternary 17-electron CBe5H4+ cluster with planar pentacoordinate carbon

Jin-Chang Guo; Lin-Yan Feng; Jorge Barroso; Gabriel Merino; Hua-Jin Zhai

doi:10.1039/D0CC02973D

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Planar or tetrahedral? A ternary 17-electron CBe₅H₄⁺ cluster with planar pentacoordinate carbon†

Jin-Chang Guo,

‡^a Lin-Yan Feng,‡^a Jorge Barroso,^b Gabriel Merino

*^b and Hua-Jin Zhai

*^a

Author affiliations

* Corresponding authors

^a Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
E-mail: hj.zhai@sxu.edu.cn

^b Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida, km 6 Antigua carretera a Progreso, Apdo. Postal 73, Cordemex 97310, Mérida, Yuc., Mexico
E-mail: gmerino@cinvestav.mx

Abstract

A 17-electron CBe₅H₄⁺ cluster features planar pentacoordinate carbon, owing to the 2π/6σ double aromaticity. The neutral CBe₅H₄ cluster has a tetrahedral configuration despite its 18-electron counting. The latter species is governed by σ conjugation.

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Article information

DOI: https://doi.org/10.1039/D0CC02973D
Article type: Communication
Submitted: 24 Apr 2020
Accepted: 15 Jun 2020
First published: 23 Jun 2020

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Chem. Commun., 2020,56, 8305-8308

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Planar or tetrahedral? A ternary 17-electron CBe₅H₄⁺ cluster with planar pentacoordinate carbon

J. Guo, L. Feng, J. Barroso, G. Merino and H. Zhai, Chem. Commun., 2020, 56, 8305 DOI: 10.1039/D0CC02973D

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