Crystal structure FT IR FT Raman and DFT studies on a novel compound C10H9N3 4AgNO3
Yazarlar (4)
Prof. Dr. Mustafa Tuğfan BİLKAN
Çankırı Karatekin Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Sinop Üniversitesi, Türkiye
Ondokuz Mayıs Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Journal of Organometallic Chemistry |
| Dergi ISSN | 0022-328X Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI |
| Dergi Grubu | Q4 |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2016 |
| Cilt No | 805 |
| Sayı | 1 |
| Sayfalar | 108 / 116 |
| DOI Numarası | 10.1016/j.jorganchem.2016.01.014 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022328X16300146 |
| Özet |
| A new complex of N-(pyridin-2-yl)pyridin-2-amine (NDPA) molecule, which is [C10H9N3]4AgNO3, has been synthesized for the first time and characterized by single-crystal X-ray diffraction, elemental analysis, Raman and infrared (at far and mid regions) spectroscopy. The complete vibrational frequencies, intensity of vibrational bands, optimized geometric structure, HOMO-LUMO energies, thermochemical properties and atomic charges for the compound were obtained by using density functional theory/B3LYP and LanL2DZ basis set. According to experimental results and theoretical calculations, the ligands are coordinated to the metal center in unidentate fashion. |
| Anahtar Kelimeler |
| Crystal structure | FT-IR and FT-Raman spectra | HOMO-LUMO energies | N-(pyridin-2-yl)pyridin-2-amine | Silver nitrate complex |
Science Direct
Crystal structure FT IR FT Raman and DFT studies on a novel compound C10H9N3 4AgNO3
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 20 |
| SCOPUS | 20 |
| Google Scholar | 22 |