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

Yurdakul A., Bilkan M. T.

OPTICS AND SPECTROSCOPY, cilt.119, sa.4, ss.603-619, 2015 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 119 Sayı: 4
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1134/s0030400x15100264
  • Dergi Adı: OPTICS AND SPECTROSCOPY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.603-619
  • Gazi Üniversitesi Adresli: Evet

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)Cl-2) and platinum (Pt(DPA)Cl-2) 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.