Synthesis, spectral analysis, structural elucidation and quantum chemical studies of (E)-methyl-4-[(2-phenylhydrazono) methyl]benzoate

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dc.authoridSAHIN, ZARIFE SIBEL/0000-0003-2745-7871
dc.contributor.authorSahin, Zarife Sibel
dc.contributor.authorSenoz, Hulya
dc.contributor.authorTezcan, Habibe
dc.contributor.authorBuyukgungor, Orhan
dc.date.accessioned2025-03-23T19:37:58Z
dc.date.available2025-03-23T19:37:58Z
dc.date.issued2015
dc.departmentSinop Üniversitesi
dc.description.abstractThe title compound, (E)-methyl-4-[(2-phenylhydrazono)methyl]benzoate, (I), (C15H14N2O2), has been synthesized by condensation reaction of methyl-4-formylbenzoate and phenylhydrazine. The compound has been characterized by elemental analysis, IR, H-1 NMR, C-13 NMR, UV-Vis spectroscopies and single crystal X-ray diffraction techniques. Optimized molecular structure, harmonic vibrational frequencies, H-1 and C-13 NMR chemical shifts have been investigated by B3LYP/6-31G(d,p) method using density functional theory (DFT). Global chemical reactivity descriptors, natural population analysis (NPA), thermodynamic and non-linear optical (NLO) properties have also been studied. The energetic behavior of the compound has been examined in solvent media using the integral equation formalism polarizable continuum model (IEF-PCM). (C) 2015 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.saa.2015.02.032
dc.identifier.endpage100
dc.identifier.issn1386-1425
dc.identifier.issn1873-3557
dc.identifier.pmid25721779
dc.identifier.scopus2-s2.0-84923335090
dc.identifier.scopusqualityQ1
dc.identifier.startpage91
dc.identifier.urihttps://doi.org/10.1016/j.saa.2015.02.032
dc.identifier.urihttps://hdl.handle.net/11486/6058
dc.identifier.volume143
dc.identifier.wosWOS:000352661200011
dc.identifier.wosqualityQ1
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.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectCondensation reactions
dc.subjectHydrazone
dc.subjectDFT
dc.subjectX-ray
dc.subjectNon-linear optic
dc.titleSynthesis, spectral analysis, structural elucidation and quantum chemical studies of (E)-methyl-4-[(2-phenylhydrazono) methyl]benzoate
dc.typeArticle

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