Near-infrared circular dichroism of the ytterbium DOTMA complex: an <i>ab initio</i> investigation-Reference-Cited by-同舟云学术

Near-infrared circular dichroism of the ytterbium DOTMA complex: an ab initio investigation

Published:2022 Issue:9 Volume:24 Page:5404-5410
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gendron Frédéric¹^ORCID,Grasser Maxime¹,Le Guennic Boris¹^ORCID

Affiliation:

1. Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) UMR 6226, F-35000 Rennes, France

Abstract

The electronic structure and circular dichroism spectra of the ytterbium(iii) complex [Yb(DOTMA)]− are calculated using multi-configurational wavefunction methods with the spin–orbit coupling treated by the state interaction approach.

Funder

Agence Nationale de la Recherche

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/D1CP01675J

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