A new multicomponent salt of imidazole and tetrabromoterepthalic acid: structural, optical, thermal, electrical transport properties and antibacterial activity along with Hirshfeld surface analysis.
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, Gatifloxacin and Ciprofloxacin has been performed. Moreover, the current-voltage (I-V) characteristic of ITO/TBTA-IM/Al sandwich structure exhibits good rectifying property and the electron tunneling process governs the electrical transport mechanism of the device.
Department of Physics, Jadavpur University, Kolkata 700032, India; Department of Physics, NITMAS, 24-Paragana(S) 743368, India.
Sanjoy Kumar
SK
Dey
Department of Physics, Jadavpur University, Kolkata 700032, India.
Rajat
R
Saha
Department of Physics, Jadavpur University, Kolkata 700032, India.
Soumen
S
Singha
Department of Physics, Jadavpur University, Kolkata 700032, India.
Susobhan
S
Biswas
Department of Physics, Jadavpur University, Kolkata 700032, India.
Animesh
A
Layek
Department of Physics, Jadavpur University, Kolkata 700032, India.
Somnath
S
Middya
Department of Physics, Jadavpur University, Kolkata 700032, India.
Partha Pratim
PP
Ray
Department of Chemistry, Bankura Christian College, Bankura, India.
Debasis
D
Bandhyopadhyay
Department of Physics, Jadavpur University, Kolkata 700032, India. Electronic address: kumars@phys.jdvu.ac.in.
Sanjay
S
Kumar
D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects; D001969:Bromobenzenes / Q000737:chemistry / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D004560:Electricity; D004583:Electrons; D006860:Hydrogen Bonding; D007093:Imidazoles / Q000737:chemistry / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D008968:Molecular Conformation; D055620:Optical Phenomena; D010795:Phthalic Acids / Q000737:chemistry / Q000494:pharmacology*; D012492:Salts / Q000737:chemistry / Q000494:pharmacology*; D012997:Solvents; D013057:Spectrum Analysis; D013499:Surface Properties; D013696:Temperature; D013818:Thermogravimetry; D014867:Water / Q000737:chemistry
D000900:Anti-Bacterial Agents; D001969:Bromobenzenes; D007093:Imidazoles; D010795:Phthalic Acids; D012492:Salts; D012997:Solvents; D014867:Water; C011363:terephthalic acid; C029899:imidazole
Crystal structure; Electrical properties; Optical properties; Organic compounds; Rietveld analysis; Thermogravimetric analysis (TGA)