Design, synthesis, characterization, theoretical calculations, molecular docking studies, and biological evaluation of new Fe (II) and Cu (II) complexes of 2-acetylpyridine …
Yazarlar (6)
Doç. Dr. Murat ÇINARLI Türkiye
Çiğdem Yüksektepe Ataol
Celal Tuğrul Zeyrek
Hatice Öğütcü
Leyla Açık
Hümeyra Batı
Kırşehir Ahi Evran Üniversitesi
Kırşehir Ahi Evran Üniversitesi
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Makale Dili | – | Basım Tarihi | 02-2025 |
| Cilt / Sayı / Sayfa | 1321 / 0 / 140112–0 | DOI | – |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286024026218 | ||
| UAK Araştırma Alanları |
Anorganik Kimya
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| Özet |
| Sulfonylhydrazones and their metal complexes are known to have potential biological activity. In this study, new Fe(II) (1) and Cu(II) (2) complexes of the 2-acetylpyridine derivative sulfonyl hydrazone (LH) were prepared. The new metal complexes were characterized by elemental analysis, IR spectroscopy, UV spectroscopy, and magnetic moment measurements. The molecular structure of (2) was elucidated by X-ray diffraction analysis, and the crystal package was obtained in three-dimensional space. To support the intermolecular interactions obtained from the X-ray diffraction results, Hirshfeld surface analysis and two-dimensional fingerprint maps of (2) were generated. The optimized molecular structures, total energies, molecular orbital energy values, molecular electrostatic potential maps, percentage distributions of the atomic orbitals to the molecular orbital energy levels, and global reactivity parameters of … |
| Anahtar Kelimeler |
