Viable aromatic Ben Hn stars enclosing a planar hypercoordinate boron or late transition metal

Physical Chemistry Chemical Physics : PCCP
Xue-Feng ZhaoZhi-Xiang Wang

Abstract

Monocyclic Bn rings can act as n-electron σ-donors to stabilize a non-classical planar hypercoordinate atom at ring center, forming wheel-like structures. Herein, we report that BenHn rings can also serve as n-electron σ-donors to construct star-like structures including B©Be6H6+ and TM©Be7H7q (TM is a group 10-12 metal with q = -1, 0, and 1, respectively) by complying with octet or 18-electron rules. Electronic structure analyses show that these species are stabilized by the σ-donation and π-backdonation between the central atom and the peripheral BenHn ring, the favorable Coulomb attraction due to the negative-positive-negative charge population pattern on the central atom, the middle Ben layer, and the outer Hn layer, as well as the σ-π double aromaticity. Importantly, three of the ten species, including B©Be6H6+, Cu©Be7H7, and Au

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Citations

May 21, 2020·Physical Chemistry Chemical Physics : PCCP·Rafael IslasMiquel Solà
Dec 11, 2020·Inorganic Chemistry·Amlan J KalitaAnkur K Guha
Feb 12, 2019·Journal of the American Chemical Society·Eric D GlendeningFrank Weinhold
Oct 16, 2021·Inorganic Chemistry·Chen ChenZhong-Hua Cui
Jan 11, 2022·Inorganic Chemistry·Amlan J KalitaAnkur K Guha

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