Spectroscopic and structural properties of 2,2′-dipyridylamine and its palladium and platinum complexes

被引:0
|
作者
Ş. Yurdakul
M. T. Bilkana
机构
[1] Gazi University,Department of Physics, Faculty of Science
[2] Karatekin University,Department of Physics, Faculty of Science
来源
Optics and Spectroscopy | 2015年 / 119卷
关键词
Bond Length; Palladium; Density Functional Theory; Free Ligand; Platinum Complex;
D O I
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中图分类号
学科分类号
摘要
The structural features such as geometric parameters, vibration frequencies and intensities of the vibrational bands of 2,2′-dipyridylamine ligand (DPA), its palladium (Pd(DPA)Cl2) and platinum (Pt(DPA)Cl2) complexes were studied by the density functional theory (DFT). The calculations were carried out by DFT / B3LYP method with 6-311++G(d,p) and LANL2DZ basis sets. All vibrational frequencies assigned in detail with the help of total energy distribution analysis (TED). Optimized geometric bond lengths and bond angles were compared with experimental X-ray data. Using DPA, K2PtCl4, and Na2PdCl4, the synthesized complex structures were characterized by the combination of elemental analysis, FT-IR (mid and far IR) and Raman spectroscopy.
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页码:603 / 619
页数:16
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