Tuning of Photochemical and Photophysical Properties of [Ru-II(2,2 '-bipyridine)(2)L-x] Complexes using Nonchromophoric Ligand Variations

Autor(es)

Inglez, Simone D. ; 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 Científico
• Fonte: Journal of the Brazilian Chemical Society; v. 21, n. 1, p. 14-pg., 2010-01-01.

Resumo

MO calculations were carried out on a cis-[Ru(bpy)(2)L-x](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. (AU)

• Processo FAPESP: 06/57577-4 - Uso de combinações de ligantes ancilares de P(III), N(III), e S(II ou IV) no desenvolvimento de catalisadores de Ru(II) para polimerização via metátese de olefinas
• Beneficiário: Benedito dos Santos Lima Neto
• Modalidade de apoio: Auxílio à Pesquisa - Regular