Crystal structure FT IR FT Raman and DFT studies on a novel compound C10H9N3 4AgNO3
Yazarlar (4)
Prof. Dr. Mustafa Tuğfan BİLKAN Gazi Üniversitesi, Türkiye
Şenay Yurdakul
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Zeynep Demircioʇlu Ondokuz Mayis Üniversitesi, Türkiye
Orhan Büyükgüngör Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Organometallic Chemistry (Q4) | ||
| Dergi ISSN | 0022-328X Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2016 |
| Cilt / Sayı / Sayfa | 805 / 1 / 108–116 | DOI | 10.1016/j.jorganchem.2016.01.014 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022328X16300146 | ||
| UAK Araştırma Alanları |
Sosyal, Beşeri ve Idari Bilimler
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| 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 | |
| Web of Science | 21 |
| Scopus | 21 |
| Google Scholar | 23 |