Analysis of the xylenol isomers by femtosecond laser time of flight mass spectrometry

Basit Öğe Kaydı
dc.contributor.authorKepceoglu, A.
dc.contributor.authorKoklu, N.
dc.contributor.authorGundogdu, Y.
dc.contributor.authorDereli, O.
dc.contributor.authorKilic, H. S.
dc.date.accessioned2024-02-23T14:26:13Z
dc.date.available2024-02-23T14:26:13Z
dc.date.issued2018
dc.departmentNEÜen_US
dc.description33rd International Physics Conference of Turkish-Physical-Society (TPS) -- SEP 06-10, 2017 -- Konacik, TURKEYen_US
dc.description.abstractXylenol is a phenolic chemical substance having two methyl groups and one hydroxyl group attached to a benzene ring and has six isomers. 2,4-xylenol is the only isomer of the xylenol molecule that is in the liquid phase while the remaining isomers are all in crystal form at room temperature. In the scope of this study, we have experimentally investigated ionization and dissociation properties of xylenol isomers. All experiments were carried out by using a time of flight mass spectrometry (TOF-MS) system coupled with a femtosecond laser system. The laser pulse power-dependent multiphoton ionization of xylenol isomers was investigated by using IR (800 nm) femtosecond laser pulses having a pulse width of similar to 90 fs in duration and laser intensities changing from 2.6 x 10(13) to 2.6 x 10(14) W/cm(2). Theoretically, molecular orbitals (LUMO+1, LUMO, HOMO, HOMO-1), vertical and adiabatic ionization energies were calculated using density functional theory (DFT) with B3LYP functional and 6-311++G(d,p) basis set by following geometry optimization and performing conformational analysis.en_US
dc.description.sponsorshipTurkish Phys Socen_US
dc.description.sponsorshipScientific Research Projects Coordinator office of Selcuk University [161210011, 16401054]; Scientific and Technical Research Council of Turkey (TUBITAK) [1649B031405880]en_US
dc.description.sponsorshipAuthors kindly would like to thank the Scientific Research Projects Coordinator office of Selcuk University for financial support via project Nos. 161210011 and 16401054 and the Scientific and Technical Research Council of Turkey (TUBITAK) for financial support via grant No. 1649B031405880. The data presented in this work will appear as a part of the Ph.D. thesis of the Abdullah Kepceoglu.en_US
dc.identifier.doi10.1139/cjp-2017-0762
dc.identifier.endpage715en_US
dc.identifier.issn0008-4204
dc.identifier.issn1208-6045
dc.identifier.issue7en_US
dc.identifier.scopus2-s2.0-85049590428en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage711en_US
dc.identifier.urihttps://doi.org/10.1139/cjp-2017-0762
dc.identifier.urihttps://hdl.handle.net/20.500.12452/14115
dc.identifier.volume96en_US
dc.identifier.wosWOS:000437293500010en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherCanadian Science Publishingen_US
dc.relation.ispartofCanadian Journal Of Physicsen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectLasersen_US
dc.subjectMultiphoton Ionisationen_US
dc.subjectTime Of Flight Mass Spectrometryen_US
dc.subjectDensity Functional Theoryen_US
dc.subjectFemtochemistryen_US
dc.titleAnalysis of the xylenol isomers by femtosecond laser time of flight mass spectrometryen_US
dc.typeConference Objecten_US

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