Crystal structure, Hirshfeld surface, physicochemical, thermal and DFT studies of (N1E, N2E)-N1,N2-bis((5-bromothiophen-2-yl)methylene)ethane-1,2-diamine N2S2 ligand and its [CuBr(N2S2)]Br complex

Warad, Ismail and Al-Demeri, Yasmin and Al-Nuri, Mohammed and Shahwan, Said and Abdoh, Muneer and Naveen, S. and Lokanath, N. K. and Mubarak, Mohammad S. and Hadda, Taibi Ben and Mabkhot, Yahia N. (2017) Crystal structure, Hirshfeld surface, physicochemical, thermal and DFT studies of (N1E, N2E)-N1,N2-bis((5-bromothiophen-2-yl)methylene)ethane-1,2-diamine N2S2 ligand and its [CuBr(N2S2)]Br complex. Journal of Molecular Structure, 1142. 217 - 225. ISSN 0022-2860

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Official URL: https://doi.org/10.1016/j.molstruc.2017.04.064

Abstract

A new tetradentate N2S2 Schiff base ligand derived from 5-bromothiophene-2-carbaldehyde and its CuBr(N2S2)Br complex were synthesized in good yield. FT-IR was investigated to monitor the condensation reaction during the ligand synthesis process. The ligand, N2S2, and its complex, CuBr(N2S2)Br, complex have been characterized with the aid of several spectroscopic techniques such as UV–vis., MS, FT-IR, EA, EDS, NMR (for N2S2), as well as by thermal (TG/DTG) analysis. In addition, cyclic voltammetry has been employed to examine the redox behavior of CuBr(N2S2)Br complex in N,N’-dimethylformamide (DMF) containing 0.10 M tetra-n-butylammonium perchlorate (TBAP). The anti-conformation EE isomer of the ligand (N2S2) was confirmed by means of X-ray crystallography; ligand crystallizes in to the monoclinic P21/c space group. N2S2 ligand was subjected to DFT-theoretical calculations and results are consistent with the experimental chemical analysis.

Item Type: Article
Uncontrolled Keywords: Copper(II) complexes, Tetradentate, NS Schiff base, XRD, DFT
Subjects: D Physical Science > Physics
Divisions: Department of > Institution of Excellence
Department of > Physics
Depositing User: MUL SWAPNA user
Date Deposited: 21 Jun 2019 05:32
Last Modified: 21 Jun 2019 05:32
URI: http://eprints.uni-mysore.ac.in/id/eprint/3576

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