Sulfonamide-derived hydrazone compounds and their Pd (II) complexes: Synthesis, spectroscopic characterization, X-ray structure determination, in vitro antibacterial activity and computational studies      
Prof. Dr. Neslihan ÖZBEK
Kırşehir Ahi Evran Üniversitesi, Türkiye
Ümmühan Özdemir Özmen
Gazi Üniversitesi, Türkiye
Ahmet Fazıl Altun
Ertan Şahin
Atatürk Üniversitesi, Türkiye
A new sulfonamide-derived prophane sulfonyl hydrazone compounds: 2-hydroxy- acetophenoneprophanesulfonylhydrazone (afpsh), 5-Cl-2-hydroxyacetophenoneprophane sulfonylhydrazone (5-Clafpsh), 3,5-di-tert-butyl-2-hydroxybenzaldehydeprophanesulfonyl hydrazone (3,5tbsalpsh) and their Pd(II) complexes were synthesized. The characterization of all compounds was characterized by 1H NMR, 13C NMR, FT-IR, Mass spectral data, elemental analysis and magnetic susceptibility measurements. The crystal structure of afpsh was determined by single crystal X-ray diffraction methods. 1H and 13C shielding tensors of afpsh were calculated with GIAO/DFT/B3LYP/6–311++G(d,p) methods in DMSO. Molecular electrostatic potential surface and frontier orbital analysis were also carried out. HOMO-LUMO energy gap was calculated which allowed the calculation of relative reactivity descriptors like chemical hardness, chemical inertness, chemical potential, nucleophilicity and electrophilicity index of all compounds. It has been observed that the calculated band gaps for Pd (II) complexes are much smaller than ligands. The microbiological effect of ligands and Pd(II) complexes were tested against six human pathogenic bacteria (three Gram-positive and three Gram-negative strains) by using microdilution (as MICs) and disc diffusion (as mm zone) methods. It was found that all compounds, in particular Pd (II) complexes, were more active than sulfonyl hydrazones.
Anahtar Kelimeler
Antimicrobial activity | Computational studies | Pd(II) complexes | Sulfonamide-derived sulfonyl hydrazones
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Journal of Molecular Structure
Dergi ISSN 0022-2860
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce
Basım Tarihi 11-2019
Cilt No 1196
Sayfalar 707 / 719
Doi Numarası 10.1016/j.molstruc.2019.07.016
Makale Linki