Chemical Physics Letters, Vol.418, No.4-6, 337-341, 2006
On the use of theoretical tools in the study of photophysical properties of the new Eu(fod)(3) complex with diphenbipy
The synthesis, characterization, spectroscopic, and fluorescence properties of Eu(fod)(3) - 2H(2)O and Eu(fod)3 - diphenbipy (fod = 6,6,7,7,8,8, 8-heptafluoro-2,2-dimethyl-3,5-octadionate,. diphenbipy = 4,4'-diphenyl-2,.2'-dipyridyl) are described. New spectroscopic studies of these complexes are presented based on theoretical and experimental analyses of the intensity parameters, Q, and Omega(4), and on the maximum splitting of the F-7(1). The geometries calculated by Sparkle/AM1 model was used to calculate the F-7(1) manifold splitting (Delta E0-1) and the intensity parameters Omega(2), Omega(4) based on the Simple Overlap Model (SOM). The reconciliation among the data from the theoretical F-7(1) manifold splitting, and the intensity parameter certifies the reliability of the models used in the theoretical calculations. (c) 2005 Elsevier B.V. All rights reserved.