1st Place - Empirical Faculty/Staff
Eight platinum(II) biphenyl complexes containing 1,10-phenanthroline derivatives were synthesized and their physical and photophysical properties were examined. X-ray crystal structures were obtained for five of the complexes with two different motifs giving rise to two different circular dichroism spectra. Structures obtained by density functional theory were in agreement with the parameters obtained by x-ray diffraction. Electron density of the HOMO is located on the metal center and the biphenyl ligand; for the LUMO it is located primarily on the phenanthroline ligand. The results for time dependent density functional theory calculations are in agreement with a MLCT (metal-to-ligand charge transfer) low energy electronic transition assignment. The optical, emission and reduction potentials correlated with Hammett Sigma functions giving rise to excellent free-energy correlations for the series of complexes.
Copyright the Author(s)
"Substituent Effects on the HOMO-LUMO Absorption and Emission of Pt(II)-Biphenyl Complexes containing 1,10-Phenanthroline Derivatives,"
SACAD: John Heinrichs Scholarly and Creative Activity Days: Vol. 2017, Article 16.
Available at: https://scholars.fhsu.edu/sacad/vol2017/iss2017/16