| 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. |
| Anahtar Kelimeler |
| Dergi Adı | OPTICS AND SPECTROSCOPY |
| Yayıncı | Pleiades Publishing |
| Açık Erişim | Hayır |
| ISSN | 0030-400X |
| E-ISSN | 1562-6911 |
| CiteScore | 0,9 |
| SJR | 0,145 |
| SNIP | 0,196 |