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Start Over Author "Castet, Frédéric" Topic metal complexes Journal chemical physics letters

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1. Theoretical investigation of the first hyperpolarizability redox-switching in a ruthenium complex.

Author

Zhang, Yuexing, Castet, Frédéric, and Champagne, Benoît

Subjects
*RUTHENIUM compounds, *POLARIZABILITY (Electricity), *OXIDATION-reduction reaction, *METAL complexes, *SWITCHING theory, *METAL ions
Abstract

Highlights: [•] The first hyperpolarizability of a redox switching RuII/III complex has been investigated. [•] Both TDDFT and SOS methods confirm and explain experimental β contrast. [•] MLCT state dominates RuII β whereas ILCT contribution is negligible. [•] MLCT state disappears and β drops substantially upon oxidation. [•] The depolarization ratio changes little upon oxidation. [Copyright &y& Elsevier]

Published
2013
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