| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381943 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
- 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.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yuexing Zhang, Frédéric Castet, Benoît Champagne,