Title : ( Synthesis, experimental and theoretical characterization of Cu(II) complex of 2-chloropyrimidine )
Authors: S. Ali Beyramabadi , Hossein Eshtiagh Hosseini , Mohammad Reza Housaindokht , Ali Morsali ,
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Abstract
The new dimeric [Cu2(OAc)4(2-Clpym)2] complex of 2-chloropyrimidine (2-Clpym) ligand was synthesized, where 2-Clpym coordinated via the nitrogen atom and acts as monodentate ligand. The water molecules of dimeric Cu2(OAc)4(H2O)2 salt replaced by two 2-Clpym ligands producing the new complex. The nature of synthesized complex was determinated by elemental and spectrochemical (IR, UV-Vis) analysis. Also, the geometries of ligand and complex have been fully optimized using density functional theory (B3LYP) method. The obtained structural parameters are in good agreement with the experimental data, reported for the similar compounds. Also, the calculated and experimental wavenumbers confirm validity of the optimized structures for the ligand and Cu complex
Keywords
, 2-Chloropyrimidine, copper(II), IR spectra, geometry optimization, density functional theory, B3LYP.
@article{paperid:1023619,
author = {S. Ali Beyramabadi and Eshtiagh Hosseini, Hossein and Housaindokht, Mohammad Reza and Ali Morsali},
title = {Synthesis, experimental and theoretical characterization of Cu(II) complex of 2-chloropyrimidine},
journal = {Scientific Research and Essays},
year = {2011},
volume = {6},
number = {20},
month = {September},
issn = {1992-2248},
pages = {4341--4346},
numpages = {5},
keywords = {2-Chloropyrimidine; copper(II); IR spectra; geometry optimization; density functional theory; B3LYP.},
}
%0 Journal Article
%T Synthesis, experimental and theoretical characterization of Cu(II) complex of 2-chloropyrimidine
%A S. Ali Beyramabadi
%A Eshtiagh Hosseini, Hossein
%A Housaindokht, Mohammad Reza
%A Ali Morsali
%J Scientific Research and Essays
%@ 1992-2248
%D 2011
