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

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.

Bibliographic Details

Main Authors:	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.
Format:	Digital revista
Language:	English
Published:	Sociedade Brasileira de Química 2010
Online Access:	http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532010000100023
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