Syntheses, Crystal Structure and Theoretical Properties of Schiff Bases Obtained from Isoniazid and Pyridine‐2‐, 3‐, 4‐Carboxaldehyde and Their Zinc(II) Complexes
Yazarlar (5)
Dr. Öğr. Üyesi Ömer AYDOĞDU Kafkas Üniversitesi, Türkiye
Doç. Dr. Güventürk UĞURLU Kafkas Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU Kafkas Üniversitesi, Türkiye
Doç. Dr. Füreya Elif ÖZTÜRKKAN Kafkas Üniversitesi, Türkiye
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Chemistryselect (Q3)
Dergi ISSN 2365-6549 Dergi Bilgileri (2024)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 04-2024
Cilt / Sayı / Sayfa 9 / 14 / – DOI 10.1002/slct.202304861
Makale Linki http://dx.doi.org/10.1002/slct.202304861
UAK Araştırma Alanları
Fen Bilimleri ve Matematik
Özet
The series of Schiff base ligands, N’‐(pyridine‐2‐ylmethylene)isonicotinohydrazide (I), N’‐(pyridine‐3‐ylmethylene)isonicotinohydrazide (II) and N’‐(pyridine‐4‐ylmethylene)isonicotinohydrazide (III), and the Zn(II) complexes of the ligands (I and II), [N’‐(pyridine‐2‐ylmethylene)isonicotinohydrazide]‐trichlorozincoate (IV) and [N’‐(Pyridin‐3‐ylmethylene) isonicotinohydrazide] trichlorozincoate (V) have been newly synthesized and their structures have been characterized by 1H, 13C NMR and FT‐IR spectroscopies, elemental analysis and single crystal X‐ray diffraction technique. The Hirshfeld surface analyses have been confirmed the importance of H‐atom contacts in establishing the packings. The ground state equilibrium geometries of the synthesized compounds are optimized at DFT/B3LYP/6‐311++G (d, p) and HF/6‐311++G (d, p) levels of theory (for the ligands) and B3LYP/GENECP method is used as the …
Anahtar Kelimeler
DFT | Isonicotinic hydrazide | N-donor ligand | Schiff base | Zn complex