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

Author(s)

Simone D. Inglez ^[1] ; Francisco C. A. Lima ^[2] ; Mariana R. Camilo ^[3] ; Juliana F. S. Daniel ^[4] ; Evania D. A. Santos ^[5] ; Benedito S. Lima-Neto ^[6] ; Rose M. Carlos ^[7]

Affiliation

^[1] Universidade de São Paulo. Instituto de Química de São Carlos - Brasil

^[2] Universidade de São Paulo. Instituto de Química de São Carlos - Brasil

^[3] Universidade Federal de São Carlos. Departamento de Química - Brasil

^[4] Universidade Federal de São Carlos. Departamento de Química - Brasil

^[5] Universidade de São Paulo. Instituto de Química de São Carlos - Brasil

^[6] Universidade de São Paulo. Instituto de Química de São Carlos - Brasil

^[7] Universidade Federal de São Carlos. Departamento de Química - Brasil

• Document type: Journal article
• Source: Journal of the Brazilian Chemical Society; v. 21, n. 1, p. 157-168, 2010-00-00.

Abstract

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. (AU)