Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)-Reference-Cited by-同舟云学术

Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)

Published:2016 Issue:17 Volume:18 Page:11700-11706
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

El Bakouri Ouissam¹²³⁴,Duran Miquel¹²³⁴,Poater Jordi⁵⁶⁷⁸⁹,Feixas Ferran¹²³⁴,Solà Miquel¹²³⁴

Affiliation:

1. Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química

2. Universitat de Girona

3. 17071 Girona

4. Spain

5. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling

6. Vrije Universiteit Amsterdam

7. NL-1081HV Amsterdam

8. The Netherlands

9. Institució Catalana de Recerca i Estudis Avançats (ICREA) and Departament de Química Orgànica

Abstract

Octahedral aromaticity was found in most clusters of formula X₆^q (X = Li–C and Be–Si) with q = −2 to +4 and spin states ranging from the singlet to the septet that have electronic configurations of closed-shells or open shells half-filled with the same spin electrons.

Funder

Generalitat de Catalunya

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07011B

Reference75 articles.

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