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Theoretical study of the ir spectra of 3-chloropyridine and 3-chloropyridine metal complexes

dc.contributor.authorBakiler, M
dc.contributor.authorMaslov, IV
dc.contributor.authorAkyüz, S
dc.date.accessioned2025-01-09T20:12:04Z
dc.date.available2025-01-09T20:12:04Z
dc.date.issued1999
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.urihttps://doi.org/10.1016/S0022-2860(98)00767-4
dc.identifier.urihttps://hdl.handle.net/20.500.14124/8325
dc.description24th European Congress on Molecular Spectroscopy -- AUG 23-28, 1998 -- CZECH TECH UNIV, PRAGUE, CZECH REPUBLICen_US
dc.description.abstractThe vibrational spectrum of 3-chloropyridine was calculated on the basis of normal coordinate analysis. Quantum optimized (MNDO) geometry was used for spectral calculations. The refined force field and electro-optical parameters are found to reproduce well experimental IR spectrum of liquid 3-chloropyridine. The coordination effect on the ligand vibrational modes was also investigated. The calculated results indicate the presence of some alterations on the ring force field of the molecule in complex formation. (C) 1999 Elsevier Science B.V. All rights reserved.en_US
dc.description.sponsorshipIoannes Marcus Marci Spectroscopic Soc,Inst Chem Technol,Czech Tech Univ,Charles Univen_US
dc.language.isoengen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectnormal coordinate analysisen_US
dc.subjectchloropyridineen_US
dc.subjectcomplexen_US
dc.subjectIR spectrumen_US
dc.subjectforce field and electro-optical parametersen_US
dc.titleTheoretical study of the ir spectra of 3-chloropyridine and 3-chloropyridine metal complexesen_US
dc.typeconferenceObjecten_US
dc.authoridAkyuz, Sevim/0000-0003-3313-6927
dc.authoridBakiler, Meric/0000-0002-3561-6716
dc.departmentMimar Sinan Güzel Sanatlar Üniversitesien_US
dc.identifier.doi10.1016/S0022-2860(98)00767-4
dc.identifier.volume482en_US
dc.identifier.startpage379en_US
dc.identifier.endpage383en_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.identifier.wosqualityQ3
dc.identifier.wosWOS:000081038100071
dc.identifier.scopus2-s2.0-0033603013
dc.identifier.scopusqualityQ1
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.snmzKA_20250105


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