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Title: A flat carborane with multiple aromaticity beyond Wade–Mingos’ rules
Authors: Lu, Wei
Do, Dinh Cao Huan
Kinjo, Rei
Keywords: Science::Chemistry
Issue Date: 2020
Source: Lu, W., Do, D. C. H. & Kinjo, R. (2020). A flat carborane with multiple aromaticity beyond Wade–Mingos’ rules. Nature Communications, 11(3370).
Project: MOE2018-T2-2-048(S)
Journal: Nature Communications
Abstract: It is widely known that the skeletal structure of clusters reflects the number of skeletal bonding electron pairs involved, which is called the polyhedral skeletal electron pair theory (PSEPT) or Wade and Mingos rules. While recent computational studies propose that the increase of skeletal electrons of polyhedral clusters leads to the flat structure beyond the PSEPT, little experimental evidence has been demonstrated. Herein, we report the synthesis of a C2B4R4 carborane 2 featuring a flat ribbon-like structure. The C2B4 core of 2 bearing 16 skeletal electrons in the singlet-ground state defies both the [4n + 2] Hückel’s rule and Baird’s rule. Nevertheless, the delocalization of those electrons simultaneously induces two independent π- and two independent σ-aromatic ring currents, rendering quadruple aromaticity.
ISSN: 2041-1723
DOI: 10.1038/s41467-020-17166-9
DOI (Related Dataset):
Rights: © 2020 The Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit
Fulltext Permission: open
Fulltext Availability: With Fulltext
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