期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 982, 期 1-3, 页码 1-8出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2010.06.027
关键词
4-hydroxybenzhydrazide; Deuteration; DFT calculations; Normal modes
资金
- Wroclaw University of Technology
Reaction of CoSO4 and 4-hydroxybenzhydrazide in water/methanol solution resulted in polymeric complex with C=O and NH2 groups of organic ligand, two water molecules and two oxygen atoms of two sulfate anions in metal coordination sphere. The X-ray analysis revealed that the complex is in the form of polymer chain of the helical structure formed due to sulfate bridge geometry and intra-chain hydrogen bonds. The variety of coordinated ligands is reflected in the vibrational spectra where six different metal-ligand modes were found. The bands related to stretching and bending vibrations of NH2, NH, OH groups as well as water molecules were located with help of hydrogen-deuterium substitution. For proposed band assignment the animation of DFT calculated normal modes was employed. (C) 2010 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据