Title : ( The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study. )
Authors: Mohamad Vakili , Mahnoosh Hakimitabar , Ali Reza Berenji , Raheleh Afzali ,
Full TextAbstract
The calculated bond lengths of Cu-O and O…O are shorter in Cu(DBM)2 than the corresponding ones in Cu(AA)2 and Cu(BA)2. The Cu-O symmetric stretching frequency is higher in Cu(DBM)2 than Cu(AA)2 and Cu(BA)2. Therefore, the resonance and also stability of Cu(DBM)2 is increased in comparison with Cu(BA)2 and Cu(AA)2.
Keywords
, Cu complexes, DFT, beta-diketones, Complex stability.
@inproceedings{paperid:1038577,
author = {Vakili, Mohamad and Hakimitabar, Mahnoosh and Berenji, Ali Reza and Afzali, Raheleh},
title = {The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study.},
booktitle = {15th Iranian Physical Chemistry Seminar},
year = {2012},
location = {تهران, IRAN},
keywords = {Cu complexes; DFT; beta-diketones; Complex stability.},
}
%0 Conference Proceedings
%T The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study.
%A Vakili, Mohamad
%A Hakimitabar, Mahnoosh
%A Berenji, Ali Reza
%A Afzali, Raheleh
%J 15th Iranian Physical Chemistry Seminar
%D 2012
