Spectroscopic and structural properties of 2 2 dipyridylamine and its palladium and platinum complexes      
Yazarlar (2)
Yurdakul
Gazi Üniversitesi, Türkiye
Prof. Dr. Mustafa Tuğfan BİLKAN Gazi Üniversitesi, Türkiye
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı Optics and Spectroscopy English Translation of Optika I Spektroskopiya
Dergi ISSN 0030-400X Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI
Dergi Grubu Q4
Makale Dili İngilizce
Basım Tarihi 10-2015
Cilt No 119
Sayı 4
Sayfalar 603 / 619
DOI Numarası 10.1134/S0030400X15100264
Makale Linki http://link.springer.com/10.1134/S0030400X15100264
Özet
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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