Electronic structure, stability, and aromaticity of M<sub>2</sub>B<sub>6</sub> (M = Mg, Ca, Sr, and Ba): an interplay between spin pairing and electron delocalization-Reference-Cited by-同舟云学术

Electronic structure, stability, and aromaticity of M₂B₆ (M = Mg, Ca, Sr, and Ba): an interplay between spin pairing and electron delocalization

Published:2022 Issue:10 Volume:24 Page:5833-5841
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Đorđević Slađana¹^ORCID,Radenković Slavko¹^ORCID

Affiliation:

1. University of Kragujevac, Faculty of Science, P. O. Box 60, 34000 Kragujevac, Serbia

Abstract

M2B6 (M = Mg, Ca, Sr and Ba) exhibit a singlet ground state, despite the fact that these complexes are π aromatic and σ nonaromatic in the singlet, and double (π and σ) aromatic in the triplet state.

Funder

Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04791D

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