23rd ICS Physical Chemistry Conference , 2022-01-12

Title : ( Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands )

Authors: Faezeh Ahmadi , Mohamad Vakili , Vahidreza Darugar ,
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Abstract

In this research, validated the PED results were applied on the vibrational spectra of Copper (II) complexes of -diketones family. The PED contributions compared with the GaussView animation of reported assignments, and their experimental IR and Raman shifts upon change of different substitution in -position

Keywords

VEDA; DFT; PED; GaussView; vibrational shifts