A new multicomponent salt of imidazole and tetrabromoterepthalic acid: structural, optical, thermal, electrical transport properties and antibacterial activity along with Hirshfeld surface analysis

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Sanjoy Kumar DeySanjay Kumar

Abstract

Herein, we report the structural, optical, thermal and electrical transport properties of a new multicomponent salt (TBTA(2-))·2(IM(+))·(water) [TBTA-IM] of tetrabromoterepthalic acid (TBTA) with imidazole (IM). The crystal structure of TBTA-IM is determined by both the single crystal and powder X-ray diffraction techniques. The structural analysis has revealed that the supramolecular charge assisted O(-)⋯HN(+) hydrogen bonding and Br⋯π interactions play the most vital role in formation of this multicomponent supramolecular assembly. The Hirshfeld surface analysis has been carried out to investigate supramolecular interactions and associated 2D fingerprint plots reveal the relative contribution of these interactions in the crystal structure quantitatively. According to theoretical analysis the HOMO-LUMO energy gap of the salt is 2.92 eV. The salt has been characterized by IR, UV-vis and photoluminescence spectroscopic studies. It shows direct optical transition with band gaps of 4.1 eV, which indicates that the salt is insulating in nature. The photoluminescence spectrum of the salt is significantly different from that of TBTA. Further, a comparative study on the antibacterial activity of the salt with respect to imidazole, Gat...Continue Reading

References

Jul 27, 2001·Nature·G R Desiraju

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Citations

Mar 6, 2018·Acta Crystallographica. Section C, Structural Chemistry·Fatima KlongdeeSujittra Youngme
Apr 1, 2020·Angewandte Chemie·Jana M HolthoffStefan M Huber

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