Tuning of photochemical and photophysical properties of [RuII(2,2'-bipyridine)2Lx] complexes using nonchromophoric ligand variations

• Autor(a) principal: Inglez,Simone D.
• Data de Publicação: 2010
• Outros Autores: Lima,Francisco C. A., Camilo,Mariana R., Daniel,Juliana F. S., Santos,Evania D. A., Lima-Neto,Benedito S., Carlos,Rose M.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Journal of the Brazilian Chemical Society (Online)
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532010000100023
• topic: DFT; TDDFT; photophysical; photochemistry; ruthenium; 2,2'-bipyridine

MO calculations were carried out on a cis-[Ru(bpy)2Lx](PF6) 2 complex, where bpy is 2,2'-bipyridine and L is 3-aminopyridine (complex 1 with x = 2), with the Gaussian 03 package using the DFT method. The electronic structure and molecular properties of 1 were characterized in vacuum and in acetonitrile solution, and the results were compared to those obtained from the complex with L = 5,6-bis(3-amidopyridine)-7-oxanorbornene (complex 2 with x = 1). The electronic spectra of 1 and 2 were investigated by TD-DFT. Experimental data from cyclic voltammetry, UV-visible spectroscopy, photochemical and photophysical experiments were compared to the theoretical data to discover the influence of L on the electronic transitions and to interpret the differences between the photochemical behaviors of these complexes.