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

Ismail Warad; Yasmin Al-Demeri; Mohammed Al-Nuri; Said Shahwan; Muneer Abdoh; Shivalingegowda Naveen; Neartur Krishnappagowda Lokanath; Mohammad S. Mubarak; Taibi Ben Hadda; Yahia N. Mabkhot

doi:10.1016/j.molstruc.2017.04.064

Back

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

Journal article

Peer reviewed

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

Ismail Warad, Yasmin Al-Demeri, Mohammed Al-Nuri, Said Shahwan, Muneer Abdoh, Shivalingegowda Naveen, Neartur Krishnappagowda Lokanath, Mohammad S. Mubarak, Taibi Ben Hadda and Yahia N. Mabkhot

Journal of molecular structure, Vol.1142, pp.217-225

15/08/2017

DOI: https://doi.org/10.1016/j.molstruc.2017.04.064

Abstract

Chemistry

Chemistry, Physical

Physical Sciences

Science & Technology

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 P2(1)/c space group. N2S2 ligand was subjected to DFT-theoretical calculations and results are consistent with the experimental chemical analysis. (C) 2017 Elsevier B.V. All rights reserved.

Metrics

1 Record Views

Details

Title: Crystal structure, Hirshfeld surface, physicochemical, thermal and DFT studies of ((NE)-E-1, (NE)-E-2)-N-1,N-2-bis((5-bromothiophen-2-yl)methylene) ethane-1,2-diamine N2S2 ligand and its [CuBr(N2S2)]Br complex
Creators - without role: Ismail Warad - An-Najah National University
Yasmin Al-Demeri - An-Najah National University
Mohammed Al-Nuri - An-Najah National University
Said Shahwan - An-Najah National University
Muneer Abdoh - An Najah Natl Univ, Sci Coll, Dept Phys, POB 7, Nablus, Palestine
Shivalingegowda Naveen - University of Mysore
Neartur Krishnappagowda Lokanath - University of Mysore
Mohammad S. Mubarak - University of Jordan
Taibi Ben Hadda - Université Hassan II Mohammedia
Yahia N. Mabkhot - King Saud University
Publication Details: Journal of molecular structure, Vol.1142, pp.217-225
Publisher: Elsevier
Number of pages: 9
Grant note: PRG-1437-29 / Deanship of Scientific Research at king Saud University; King Saud University
Identifiers: 9923332508331
Academic Unit: King Khalid University
Language: English
Resource Type: Journal article