| Yazarlar |
Sibel Tokdemir Öztürk
Gebze Teknik Üniversitesi, Türkiye |
|
Perihan Aksu
Gebze Teknik Üniversitesi, Türkiye |
|
Nevin Turan Özek
Muş Alparslan Üniversitesi, Türkiye |
|
Kenan Buldurun
Muş Alparslan Üniversitesi, Türkiye |
Emine TANIŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Naki Çolak
Hitit Üniversitesi, Türkiye |
| Özet |
| The title compound ([CuClL(H2O)]·2H2O) were synthesized. The copper(II) complex in square planar geometry were identified by using elemental analysis, magnetic susceptibility, mass spectra, FT-IR, UV-Vis. and ESR techniques. DFT calculations at the UB3LYP/LANL2DZ level of theory were conducted to obtain vibrational and electronic properties of the copper(II) complex. Vibrational assignments of the observed infrared spectra of title compound were carried out based on the calculated potential energy distributions (PEDs). The sensitive measurement results indicated that the observed values were reasonable. The energy values were determined to describe electronic properties of the title molecules. Furthermore, NBO analysis was performed to analyze the hyper-conjugative stability of the molecule, molecular orbital interaction and charge delocalization. |
| Anahtar Kelimeler |
| Copper(II) complex | ESR | HOMO-LUMO levels | UB3LYP/LANL2DZ level |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Inorganic and Nano-Metal Chemistry |
| Dergi ISSN | 2470-1556 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 01-2021 |
| Cilt No | 51 |
| Sayı | 11 |
| Sayfalar | 1546 / 1552 |
| Doi Numarası | 10.1080/24701556.2020.1842768 |
| Makale Linki | http://dx.doi.org/10.1080/24701556.2020.1842768 |
| Atıf Sayıları | |
| SCOPUS | 4 |
| Google Scholar | 4 |
