Theoretical, spectroscopic and antioxidant activity studies on (E)-2-[(2-fluorophenylimino)methyl]-4-hydroxyphenol and (E)-2-[(3-fluorophenylimino)methyl]-4-hydroxyphenol compounds

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dc.authoridGuder, Aytac -- 0000-0002-1190-8749;
dc.contributor.authorAlaşalvar, Can
dc.contributor.authorGüder, Aytaç
dc.contributor.authorGökçe, Halil
dc.contributor.authorAlbayrak Kaştaş, Çiğdem
dc.contributor.authorÇatak Çelik, Raziye
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:30:07Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:30:07Z
dc.date.issued2017
dc.departmentBilimsel ve Teknolojik Uygulama ve Araştırma Merkezi
dc.description.abstractWe studied synthesis and characterization of the title compounds by using X-ray crystallographic technique, FT-IR spectroscopy, UV - Vis spectroscopy and Density functional method. Optimized geometry, vibrational frequencies and UV - Vis parameters of the title compounds in the ground state have been calculated by using B3LYP with the 6-311G+ (d,p) basis set. HOMO - LUMO energy gap, Non-linear optical properties are performed at B3LYP/6-311G+(d,p) level. For determination of antioxidant properties of the title compounds (CMPD1 and CMPD2) have been investigated by using different methods, i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). In comparison with standard antioxidants (BHA, BHT, and a-tocopherol), CPMD1 and CMPD2 have influential FRAP, HPSA, FRSA and FICA.
dc.description.sponsorshipAksaray University Science and Technology Application and Research Center, Aksaray, Turkey [2010K120480]
dc.description.sponsorshipThe authors acknowledge the Aksaray University Science and Technology Application and Research Center, Aksaray, Turkey, for use of the Bruker SMART BREEZE CCD diffractometer (purchased under grant No. 2010K120480 of the State of Planning Organization).
dc.identifier.doi10.1016/j.molstruc.2016.11.066
dc.identifier.endpage48en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopusqualityQ1
dc.identifier.startpage37en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2016.11.066
dc.identifier.urihttps://hdl.handle.net/20.500.12451/6240
dc.identifier.volume1133en_US
dc.identifier.wosWOS:000393931900005
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherELSEVIER SCIENCE BV
dc.relation.ispartofJOURNAL OF MOLECULAR STRUCTURE
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectSchiff Base
dc.subjectCrystal Structure
dc.subjectDFT Method
dc.subjectFT-IR
dc.subjectAntioxidant Properties
dc.titleTheoretical, spectroscopic and antioxidant activity studies on (E)-2-[(2-fluorophenylimino)methyl]-4-hydroxyphenol and (E)-2-[(3-fluorophenylimino)methyl]-4-hydroxyphenol compounds
dc.typeArticle

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