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
@inproceedings{paperid:1088759,
author = {Ahmadi, Faezeh and Vakili, Mohamad and وحیدرضا داروگر},
title = {Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands},
booktitle = {23rd ICS Physical Chemistry Conference},
year = {2022},
location = {کرمان, IRAN},
keywords = {VEDA; DFT; PED; GaussView; vibrational shifts},
}
%0 Conference Proceedings
%T Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands
%A Ahmadi, Faezeh
%A Vakili, Mohamad
%A وحیدرضا داروگر
%J 23rd ICS Physical Chemistry Conference
%D 2022
