X-ray diffraction and vibrational spectroscopic study of trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III)

被引：7

作者：

Tayyari, Sayyed Faramarz ^{[1
]}

Habibi, Mohammad Hossien ^{[2
]}

Shojaee, Elahe ^{[2
]}

Jamialahmadi, Mina ^{[1
]}

Sammelson, Robert Erik ^{[3
]}

Wada, Koki ^{[4
]}

Suzuki, Takayoshi ^{[4
]}

机构：

[1] Ferdowsi Univ Mashhad, Dept Chem, Mashhad 917751436, Iran

[2] Univ Isfahan, Dept Chem, Nanotechnol Lab, Esfahan 8174673441, Iran

[3] Ball State Univ, Dept Chem, Muncie, IN 47306 USA

[4] Okayama Univ, Fac Sci, Dept Chem, Okayama 7008530, Japan

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2015年 / 139卷

关键词：

Trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III); X-ray crystallography; Density functional theory; FT-IR spectroscopy; Tris(acetylacetonate)Co(III); ASSIGNMENT; DEPOSITION; SPECTRA; PRECURSORS; COMPLEXES; DENSITY; ALUMINA;

D O I：

10.1016/j.saa.2014.12.019

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

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. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：94 / 101

页数：8

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