From six to eight Π-electron bare rings of group-XIV elements and beyond: can planarity be deciphered from the “quasi-molecules” they embed?-Reference-Cited by-同舟云学术

From six to eight Π-electron bare rings of group-XIV elements and beyond: can planarity be deciphered from the “quasi-molecules” they embed?

Published:2022 Issue:14 Volume:24 Page:8488-8507
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Varandas A. J. C.¹²³^ORCID

Affiliation:

1. School of Physics and Physical Engineering, Qufu Normal University, 273165 Qufu, China

2. Department of Physics, Universidade Federal do Esp rito Santo, 29075-910 Vitória, Brazil

3. Department of Chemistry, and Chemistry Centre, University of Coimbra, 3004-535 Coimbra, Portugal

Abstract

Ab initio molecular orbital theory is used to study the structures of six and eight π-electron bare rings of group-XIV elements, and even larger [n]annulenes up to C18H18, including some of their mono-, di-, tri-, and tetra-anions.

Funder

Shandong Province

Fundação para a Ciência e a Tecnologia

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

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/D1CP04130D

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