A dithiocarbazate N,S Schiff base ligand with a long alkyl chain: Synthesis, characterization, DFT study and antimicrobial activity of its Ni(II) complex

Mst Sabina Begum*, Dipto Das, Ennio Zangrando, Shofiur Rahman, Abdullah Alodhayb, Mst Khurshida Begum, Chan Miya Sheikh, Ryuta Miyatake, Md Belayet Hossain Howlader, Md Rabiul Karim, Md Belal Chowdhury

*この論文の責任著者

研究成果: ジャーナルへの寄稿学術論文査読

抄録

The N,S bidentate ligand S-hexyl-β-N-(4-nitrobenzylidene)dithiocarbazate (HL), obtained by condensation of S-hexyldithiocarbazate with 4-nitrobenzaldehyde, has been used to synthesize the nickel(II) complex, NiL2. The ligand and complex were characterized by physicochemical techniques and the nickel species also by single crystal X-ray diffraction. The metal is four-coordinated with trans configuration of the Schiff bases that chelate the metal in the deprotonated monoanionic form. When compared to the free ligand, the metal complex exhibits a considerable increase in fluorescence intensity. Hirshfeld surface analysis and quantum chemical density functional theory (DFT) calculations were conducted to evaluate the non-covalent interactions of the complex NiL2. The antibacterial activity of free ligand HL and the complex was evaluated in vitro against pathogenic gram-negative bacteria, Escherichia coli and Klebsiella pneumonia. The test showed that neither the HL alone nor the complex were found to exhibit any activity against the tested organisms.

本文言語英語
論文番号134808
ジャーナルJournal of Molecular Structure
1277
DOI
出版ステータス出版済み - 5 4月 2023

ASJC Scopus 主題領域

  • 分析化学
  • 分光学
  • 有機化学
  • 無機化学

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