Investigation of spectral and structural properties of a coordination compound with phthalic acid: DFT and molecular docking studies
Yazarlar (2)
Doç. Dr. Tuğba AK KİRBAŞ Sinop Üniversitesi, Türkiye
Hümeyra Paşaoğlu
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Coordination Chemistry (Q3) | ||
| Dergi ISSN | 0095-8972 Dergi Bilgileri (2020) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2020 |
| Cilt / Sayı / Sayfa | 73 / 4 / 671–685 | DOI | 10.1080/00958972.2020.1742331 |
| Makale Linki | https://www.tandfonline.com/doi/full/10.1080/00958972.2020.1742331 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| The mixed-ligand coordination compound, [Cu(Hpht)2(na)2(H2O)] (1) (Hpht− = monoanion of phthalic acid and na = nicotinamide), was investigated by focusing on its supramolecular architecture. Structural properties of the complex were characterized by elemental analysis, XRD, spectroscopic methods and thermogravimetric analysis. The complex was connected by hydrogen bonds to form 3-D supramolecular structures. The FT-IR study of the complex was carried out in the middle-IR region focusing on the characteristic vibrations of the free ligands and the complex. Scaled theoretical vibrational frequencies were compared with experimental values. The magnetic properties of the complex were investigated by electron paramagnetic resonance (EPR) spectroscopy. Further ultra-violet (UV-vis) spectral analysis and thermogravimetric analysis were performed to understand optical and thermal properties. The ... |
| Anahtar Kelimeler |
| DFT | molecular docking | phthalic acid | Single-crystal X-ray diffraction | spectroscopic methods |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 4 |
| Scopus | 4 |
| Google Scholar | 4 |