<p>Excited sate Time-dependent Density Functional Theory (TD-DFT) study of Ti and Zr complexes of 9, 10-phenanthrenequinone dioxime and N, N’-Bis(2-pyridyl)pyridine-2,6-dicarboxamide have been carried out. Molecular orbital analysis and NBO (Natural Bond Orbital) calculations have been calculated in order to find the involvement of ligand and metal in the electron redistribution in the excited state. Ligand to metal charge transfer observed in the excited state study of titanium complex of pyridine-2, 6-dicarboxamide ligand and zirconium complex of 9, 10-phenanthrenequinone dioxime whereas an intramolecular electron redistribution in the ligand part observed in the case of titanium complex of 9, 10-phenanthrenequinone dioxime and pyridine-2, 6-dicarboxamide ligand. Relevance of the work: In order to understand the electron transfer behaviour of complexes excited state study of complexes is very important. In the excited state study we can find out the involvement of ligand and metal in electron transfer. This type of studies will give an insight to the molecular orbitals of the complex.</p>