Title : ( Structural, IR, and EPR studies of the bis(methoxyacetato)diaquo-copper(II) complex )
Authors: علیمحمدی , هدایت راحمی , گلزن , Sayyed Faramarz Tayyari , M. J. Riley ,
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Abstract
The structure, stability, and the IR, and EPR spectroscopic properties of bis(methoxyacetato)diaquocopper(II) were studied both experimentally using FT-IR and theoretically using B3LYP/6-31G**, B3LYP/6-311G, BWP91/6-31G** methods. The same approaches were used to calculate the harmonic frequencies and to compare them to the experimental solid state values. The g-tensors are calculated using the NMR/GIAO computational method.
Keywords
, Bis(methoxyacetato)diaquo, copper(II) . DFT.EPR . IR
@article{paperid:1007966,
author = {علیمحمدی and هدایت راحمی and گلزن and Tayyari, Sayyed Faramarz and M. J. Riley},
title = {Structural, IR, and EPR studies of the bis(methoxyacetato)diaquo-copper(II) complex},
journal = {Journal of Molecular Modeling},
year = {2009},
number = {15},
month = {February},
issn = {1610-2940},
pages = {391--395},
numpages = {4},
keywords = {Bis(methoxyacetato)diaquo-copper(II) . DFT.EPR . IR},
}
%0 Journal Article
%T Structural, IR, and EPR studies of the bis(methoxyacetato)diaquo-copper(II) complex
%A علیمحمدی
%A هدایت راحمی
%A گلزن
%A Tayyari, Sayyed Faramarz
%A M. J. Riley
%J Journal of Molecular Modeling
%@ 1610-2940
%D 2009
