Resonance Raman Spectroscopy Of Rhenium(I) Complexes With Sulfur-Containing Polypyridyl Ligands

• Published in: AIP conference proceedings Vol. 1267; no. 1; pp. 582 - 583
• Main Authors: Gordon, Keith C, Fraser, Michael G, Horvath, Raphael
• Format: Journal Article
• Language: English
• Published: United States 01.01.2010
• Subjects: Aqueous solutions; CALCULATION METHODS; CHARGE EXCHANGE; COMPLEXES; CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; DENSITY FUNCTIONAL METHOD; Deoxyribonucleic acid; Derivatives; DNA; Electronic structure; Electronics; Emissivity; Excitation; IODINE COMPLEXES; LASER SPECTROSCOPY; LIGANDS; NUCLEIC ACIDS; Orbitals; ORGANIC COMPOUNDS; RAMAN SPECTROSCOPY; RESONANCE; RHENIUM COMPLEXES; SPECTROSCOPY; SULFUR COMPOUNDS; Switches; TRANSITION ELEMENT COMPLEXES; VARIATIONAL METHODS
• ISBN: 0735408181; 9780735408180
• ISSN: 0094-243X; 1551-7616
• DOI: 10.1063/1.3482689

Complexes incorporating dipyrido[3,2-a:2',3'-c]phenazine (dppz) and its derivatives have been the subject of extensive investigation because they possess interesting photophysical properties. One striking example of this is the observation that some dppz complexes exhibit a 'light switch effect', being highly emissive in aqueous solution in the presence of DNA but non-emissive in normal aqueous solution.1 Theoretical and photophysical studies suggest that the excited states of Re(I) complexes with dppz-type ligands contain closely lying ligand centered (LC) and metal-to-ligand charge-transfer (MLCT) states of differing orbital parentage. The orbital parentage of electronic transitions in dppz has been the subject of some early theoretical investigations which remain the current thinking on the electronic structure of the ligand.