All-metal Baird aromaticity

Dandan Chen; Dariusz W Szczepanik; Jun Zhu; Miquel Solà

doi:10.1039/d0cc05586g

All-metal Baird aromaticity

Chem Commun (Camb). 2020 Oct 20;56(83):12522-12525. doi: 10.1039/d0cc05586g.

Authors

Dandan Chen¹, Dariusz W Szczepanik², Jun Zhu³, Miquel Solà⁴

Affiliations

¹ State 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.
² 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 and K. Guminski Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, Kraków 30-387, Poland.
³ State 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.
⁴ 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.

PMID: 32940297
DOI: 10.1039/d0cc05586g

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.