Substituent Effects on the HOMO-LUMO Absorption and Emission of Pt(II)-Biphenyl Complexes containing 1,10-Phenanthroline Derivatives

Authors

Arvin Cruz, Fort Hays State UniversityFollow

Award Level

1st Place - Empirical Faculty/Staff

Classification

Empirical Faculty/Staff

Abstract

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.

Department/Program

Chemistry

Submission Type

in-person poster

DOI

10.58809/QUMZ2945

Date

5-3-2017

Rights

Copyright the Author(s)

Comments

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Recommended Citation

Cruz, Arvin (2017) "Substituent Effects on the HOMO-LUMO Absorption and Emission of Pt(II)-Biphenyl Complexes containing 1,10-Phenanthroline Derivatives," SACAD: Scholarly Activities: Vol. 2017, Article 16.
DOI: 10.58809/QUMZ2945
Available at: https://scholars.fhsu.edu/sacad/vol2017/iss2017/16