All-metal Baird aromaticity
Dandan Chen1, Dariusz W Szczepanik2, Jun Zhu3
1State 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 and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, China. jun.zhu@xmu.edu.cn and Institute of Computational Chemistry and Catalysis and Department of Chemistry, University of Girona, C/M. Aurèlia Capmany 69, Girona, Catalonia 17003, Spain. miquel.sola@udg.edu.
Abstract:
Baird's rule has been applied to a large scope of organic molecular systems for rationalizing the aromaticity reversal in the lowest-lying triplet state. In this study, we demonstrate that Baird's rule can also be extended to all-metal systems with σ- and π-aromaticity.
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