Synthesis, characterization, and Hirshfeld surface analysis of coordination compounds composed of two different aminopyridines, isothiocyanate ligand molecules, and two different transition metal atoms
Yazarlar (2)
Prof. Dr. Zarife Sibel ŞAHİN Sinop Üniversitesi, Türkiye
Zeki Kartal
Kütahya Dumlupınar Üniversitesi, Türkiye
Kütahya Dumlupınar Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | TURKISH JOURNAL OF CHEMISTRY (Q3) | ||
| Dergi ISSN | 1300-0527 Dergi Bilgileri (2024) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 01-2024 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 24-10-2024 |
| Cilt / Sayı / Sayfa | 48 / 5 / 780–799 | DOI | 10.55730/1300-0527.3697 |
| Makale Linki | http://dx.doi.org/10.55730/1300-0527.3697 | ||
| UAK Araştırma Alanları |
Malzeme Fiziği
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| Özet |
| This article successfully describes the synthesis of three coordination compounds formed by the ligands 3-aminopyridine, 4-aminopyridine and isothiocyanate ion with copper atoms and 4-aminopyridine and isothiocyanate ion with cadmium atoms, and their structural characterizations. The crystal structures of the compounds were determined by single crystal XRD technique. According to that technique, the open formulae of these compounds are [Cu (3-aminopyridine) 2 (NCS) 2](1),[Cu (4-aminopyridine) 3 (NCS) 2](2) and [Cd (4-aminopyridine) 2 (NCS) Cl](3). In addition, the suitability of the structures of the compounds was characterized by elemental analysis, thermal analysis and FT-IR spectroscopy techniques. The SC-XRD analyzes of these coordination compounds showed that the first of these coordination compounds was in 1D crystal structure and the other two were in 3D crystal structure. NH··· S, NH··· N, NH··· Cl, NH··· π and CH··· π bonds and their combinations were effective in the formation of the crystal structures of the said coordination compounds. The metal atoms [Cu (II), Cu (II) and Cd (II)] in these coordination compounds were surrounded by various ligand molecules in a square planar, square pyramid and octahedral arrangement, respectively. In order to investigate the some chemical and structural properties of these coordination compounds, theoretical calculations were made with the Gaussian 03 program. HOMO, LUMO and natural bond orbital (NBO) values of coordination compounds were used in these calculations. When the energy gap value between the HOMO and LUMO states of the compounds was examined, it was … |
| Anahtar Kelimeler |
| 3-Aminopyridine (3AP) | single crystal X-ray diffraction analysis | 4-aminopyridine (4AP) | Fourier transform infrared spectroscopy | density functional theory | Hirshfeld surfaces |
BM Sürdürülebilir Kalkınma Amaçları
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| Web of Science | 3 |
| Google Scholar | 3 |