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

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dc.authoriddayan, osman/0000-0002-0764-1965
dc.authoridOzdemir, Namik/0000-0003-3371-9874
dc.authoridCetinkaya, Bekir/0000-0002-4551-8650
dc.contributor.authorOzdemir, Namik
dc.contributor.authorDayan, Osman
dc.contributor.authorYavasoglu, Melek Tercan
dc.contributor.authorCetinkaya, Bekir
dc.date.accessioned2025-01-27T20:27:14Z
dc.date.available2025-01-27T20:27:14Z
dc.date.issued2014
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractThe 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.
dc.description.sponsorshipScientific and Technical Research Council of Turkey (TUBITAK) [107T808]; University Research Fund [F-279]
dc.description.sponsorshipThis research has been supported by The Scientific and Technical Research Council of Turkey (TUBITAK) (Project No: 107T808). We wish to thank Prof. Dr. Orhan Buyukgungor for his help with the data collection and acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the STOE IPDS II diffractometer (purchased under Grant No. F-279 of the University Research Fund).
dc.identifier.doi10.1016/j.saa.2014.04.148
dc.identifier.endpage152
dc.identifier.issn1386-1425
dc.identifier.issn1873-3557
dc.identifier.pmid24825668
dc.identifier.scopus2-s2.0-84900430207
dc.identifier.scopusqualityQ1
dc.identifier.startpage145
dc.identifier.urihttps://doi.org/10.1016/j.saa.2014.04.148
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22626
dc.identifier.volume131
dc.identifier.wosWOS:000338810400020
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofSpectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectCrystal structure
dc.subjectFT-IR
dc.subjectNMR
dc.subjectUV-vis.
dc.subjectDFT calculations
dc.titleSynthesis 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
dc.typeArticle

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