Title : ( X-ray diffraction and vibrational spectroscopic study of transbis( acetylacetonato)-bis(4-methylpyridine)cobalt(III) )
Authors: Sayyed Faramarz Tayyari , Mohammad Hossien Habibi , Elahe Shojaee , Mina Jamialahmadi , Robert Erik Sammelson , Koki Wada , Takayoshi Suzuki ,
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Abstract
Trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III)hexafluorophosphate, [AMPC]PF6, was synthesized and characterized by X-ray diffraction and vibrational spectroscopy. The title compound C22H28-N2O4Co crystallizes with Z = 2 in space group P-1 (#2). The molecular structure and vibrational spectra of this compound were investigated by means of density functional theory (DFT) calculations and the results were compared with the experimental data. The measured IR bands were interpreted in terms of the calculated vibrational normal modes and compared with the tris(acetylacetonate)Co(III) (Co(acac)3) and 4-methylpyridine (4-Mepy) vibrational spectra. The scaled theoretical wavenumbers and the structural parameters were in excellent agreement with the experimental data.
Keywords
, Trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III), X-ray crystallography, Density functional theory FT-IR spectroscopy, Tris(acetylacetonate)Co(III)
@article{paperid:1045223,
author = {Tayyari, Sayyed Faramarz and Mohammad Hossien Habibi and Elahe Shojaee and Jamialahmadi, Mina and Robert Erik Sammelson and Koki Wada and Takayoshi Suzuki},
title = {X-ray diffraction and vibrational spectroscopic study of transbis( acetylacetonato)-bis(4-methylpyridine)cobalt(III)},
journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
year = {2015},
volume = {139},
number = {1},
month = {March},
issn = {1386-1425},
pages = {94--101},
numpages = {7},
keywords = {Trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III); X-ray crystallography; Density functional theory
FT-IR spectroscopy; Tris(acetylacetonate)Co(III)},
}
%0 Journal Article
%T X-ray diffraction and vibrational spectroscopic study of transbis( acetylacetonato)-bis(4-methylpyridine)cobalt(III)
%A Tayyari, Sayyed Faramarz
%A Mohammad Hossien Habibi
%A Elahe Shojaee
%A Jamialahmadi, Mina
%A Robert Erik Sammelson
%A Koki Wada
%A Takayoshi Suzuki
%J Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
%@ 1386-1425
%D 2015
