Synthesis, structural, spectral and antimicrobial activity studies of copper-nalidixic acid complex with 1,10-phenanthroline: DFT and molecular docking
Yazarlar (6)
Doç. Dr. Tuğba AK KİRBAŞ Sinop Üniversitesi, Türkiye
Doç. Dr. Filiz Öztürk Ondokuz Mayis Üniversitesi, Türkiye
Tuğrul Doruk
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Prof. Dr. Serkan Demir Giresun Üniversitesi, Türkiye
Dr. Öğr. Üyesi Melek Fidan Atatürk Üniversitesi, Türkiye
Hümeyra Paşaoğlu
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q1) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2020) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 11-2020 |
| Cilt / Sayı / Sayfa | 241 / 1 / 118639–0 | DOI | 10.1016/j.saa.2020.118639 |
| Makale Linki | http://dx.doi.org/10.1016/j.saa.2020.118639 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
Spektroskopi
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| Özet |
| The mix-ligand coordination compound, [Cu(Nal)(Phen)(H2O)].(Phen).ClO4.(H2O)2 (Nal= Monoanion of nalidixic acid and Phen = 1,10- Phenanthroline), was investigated by focusing on its supramolecular architecture. Structural properties of the complex were characterized by XRD, spectroscopic methods and elemental analysis. The complex has crystallized in the triclinic crystal system and P-1 space group. In the structure where the Cu (II) ion is in the center of symmetry, nalidixate anion and water molecule coordinated to Cu (II) metal through oxygen atoms while phen coordinated through nitrogen atoms. The monomer units are connected by hydrogen bonds to form supramolecular structures. The ground state molecular structure of the complex was optimized using DFT/B3LYP/LANL2DZ method, and compared with experimental X-ray geometry. The FT-IR study of the complex was carried out in the middle IR ... |
| Anahtar Kelimeler |
| Antimicrobial activity | DFT | Molecular modelling | Nalidixic acid | Single crystal X-ray | Spectroscopic methods |
Science Direct
Synthesis, structural, spectral and antimicrobial activity studies of copper-nalidixic acid complex with 1,10-phenanthroline: DFT and molecular docking
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 22 |
| Scopus | 23 |
| Google Scholar | 24 |