Exploring the nature of the excitation energies in [Re6(μ3-Q8)X6]4− clusters: a relativistic approach
Author:
Affiliation:
1. Universidad Andrés Bello
2. Facultad de Ciencias Exactas
3. PhD Program in Molecular Physical Chemistry
4. Relativistic Molecular Physics (ReMoPhys) Group
5. Santiago
Abstract
This contribution is focused on the characterization of the electronic transitions of the [Re6(μ3-Q8)X6]4− clusters, with the aim of understanding the substitution effect of the terminal and chalcogenide ligands, and the significance of the spin–orbit coupling over the description of excitation energies.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02003D
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