Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1311485 | Inorganica Chimica Acta | 2008 | 7 Pages |
Abstract
New [Ir(cyclometallated 4,5-diphenyl-2-methyl-thiazole)2(5-R-1,10-phenanthroline)][PF6] (RÂ =Â CH3, NO2) complexes are characterized by interesting emission properties and large second-order NLO response. SOS/TDDFT calculations show that the negative sign of the quadratic hyperpolarizability is mainly due to the significant contribution of MLCT transitions involving the phenanthroline as ligand acceptor. The X-ray structure of the complex with RÂ =Â CH3 is reported.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Claudia Dragonetti, Stefania Righetto, Dominique Roberto, Renato Ugo, Adriana Valore, Francesco Demartin, Filippo De Angelis, Antonio Sgamellotti, Simona Fantacci,