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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 34, Number 10
BKCSDE 34(10)
October 20, 2013 

 
Title
Chromium(III) Complex Obtained from Dipicolinic Acid: Synthesis, Characterization, X-Ray Crystal Structure and Electrochemical Studies
Author
Khaled Ghasemi, Ali Reza Rezvani*, Ibrahim Abdul Razak, Abolghasem Moghimi, Fatemeh Ghasemi, Mohd Mustaqim Rosli
Keywords
Chromium complex, X-ray structure, 2,6-Pyridinedicarboxylic acid, Hydrogen bonding, AIM method
Abstract
The synthesis, X-ray crystallography, spectroscopic (IR, UV-vis), and electrochemical properties of the title compound, [H3O][Cr(dipic)2] [H3O+.Cl−] (1), (H2dipic = 2,6-pyridinedicarboxylic acid), are reported. This complex crystallizes in the monoclinic space group Cc with a = 14.9006(10) Å, b = 12.2114(8) Å, c = 8.6337(6) Å, α = 90.00°, β = 92.7460(10)°, γ = 90.00°, and V = 1569.16(18) Å3 with Z = 4. The hydrogen bonding and noncovalent interactions play roles in the stabilization of the structure. In order to gain a better understanding of the most important geometrical parameters in the structure of the complex, atoms in molecules (AIM) method at B3LYP/6-31G level of theory has been employed.
Page
3093 - 3097
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