Synthesis and characterization of 2,2 '-(pyridine-2,6-diyl)bis (1H-benzo[d]imidazol-3-ium) 2,4,6-trimethylbenzenesulfonate chloride by experimental and theoretical methods

Özdemir N., DAYAN O., TERCAN YAVAŞOĞLU M., Cetinkaya B.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.131, ss.145-152, 2014 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 131
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1016/j.saa.2014.04.148
  • Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.145-152
  • Anahtar Kelimeler: Crystal structure, FT-IR, NMR, UV-vis., DFT calculations, EFFICIENT IMPLEMENTATION, RUTHENIUM(II) COMPLEXES, EQUILIBRIUM GEOMETRIES, ANTIMICROBIAL ACTIVITY, TRANSFER HYDROGENATION, EXCITATION-ENERGIES, TOPOISOMERASE-I, LIGANDS, CATALYSTS, NNN
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title molecular salt (2), 2,2 '-(pyridine-2,6-diyl)bis (1H-benzo[d]imidazol-3-ium) 2,4,6-trimethylbenzenesulfonate chloride (C19H15N52+center dot C9H11O3S-.Cl-), was synthesized unexpectedly from the reaction of 2,6-bis(benzimidazol-2-yl)pyridine (1) with 2-mesitylenesulfonyl chloride. Spectroscopic techniques NMR and UV-vis.) were used to characterize compounds 1 and 2. Solid-state structure of compound 2 was identified by X-ray crystallography. Theoretical characterization of the spectroscopic properties of compounds 1 and 2 was achieved using the density functional theory (DFT) method with the 6-311G(d,p) basis set, and the results were checked against the experimental data. Electronic absorption spectra of the compounds have also been obtained. (C) 2014 Elsevier B.V. All rights reserved.