Revisiting the role of octahedral symmetry in the interpretation of spectroscopic properties of [OsF6]2− and PtF6 complexes-Reference-Cited by-同舟云学术

Revisiting the role of octahedral symmetry in the interpretation of spectroscopic properties of [OsF₆]²⁻ and PtF₆ complexes

Published:2024 Issue:22 Volume:53 Page:9301-9305
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Solis-Céspedes Eduardo¹^ORCID,Alvarez-Thon Luis²^ORCID,Arratia-Perez Ramiro³^ORCID,Páez-Hernández Dayán³^ORCID

Affiliation:

1. Departamento de Medicina Traslacional, Laboratorio de Bioinformática y Química Computacional, Facultad de Medicina, Universidad Católica del Maule, Talca, Chile

2. Facultad de Ingeniería y Arquitectura, Universidad Central de Chile, Santa Isabel 1186, Santiago, Chile

3. Centro de Nanociencias Aplicadas (CANS), Universidad Andres Bello, República 330, Santiago, Chile

Abstract

The electronic structure of [OsF6]2− and PtF6 complexes was studied by means of CASSCF/NEVPT2 multiconfigurational calculations, including spin–orbital coupling, which is very relevant in the case of these metals.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DT/D4DT01006J

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