H-bonding behavior of ethylene oxide within the clathrate hydrates revisited: Experiment and theory

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dc.contributor.authorMaslakci, Zafer
dc.contributor.authorDevlin, J. Paul
dc.contributor.authorUras-Aytemiz, Nevin
dc.date.accessioned2024-09-29T15:55:15Z
dc.date.available2024-09-29T15:55:15Z
dc.date.issued2020
dc.departmentKarabük Üniversitesien_US
dc.description.abstractFTIR spectroscopy has been used to reexplore the nonclassical behavior of ethylene oxide (EO) within the large cages of clathrate hydrates. In most of the spectroscopic studies of EO within the clathrate hydrate cages, the classical EO bands attributed to the C-O stretch mode of EO were misassigned. Therefore, the all-vapor subsecond approach to clathrate-hydrate formation combined with computational studies was used to reexamine spectroscopic characteristics of EO molecules in which they can be either in classical or nonclassical forms.en_US
dc.description.sponsorshipNational Science Foundation, United States (NSF) [CHE-1213732, CHE-1566600]; Karabuk University-Turkey [KBUBAP-13/2-DR-001]; COST Action [CA17120]en_US
dc.description.sponsorshipSupport of this research by the National Science Foundation, United States (NSF) through Grant Nos. CHE-1213732 and CHE-1566600 is gratefully acknowledged. N. U.-A. is appreciative of partial support for this project by Karabuk University-Turkey, through Grant No. KBUBAP-13/2-DR-001. The numerical calculations reported in this paper were fully performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources). N. U.-A. would like to acknowledge the contribution of the COST Action CA17120.en_US
dc.identifier.doi10.1016/j.cplett.2020.137728
dc.identifier.issn0009-2614
dc.identifier.issn1873-4448
dc.identifier.scopus2-s2.0-85087398417en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.cplett.2020.137728
dc.identifier.urihttps://hdl.handle.net/20.500.14619/4544
dc.identifier.volume754en_US
dc.identifier.wosWOS:000560719500015en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectClathrate hydratesen_US
dc.subjectGas hydratesen_US
dc.subjectEthylene oxideen_US
dc.subjectFTIR spectroscopyen_US
dc.titleH-bonding behavior of ethylene oxide within the clathrate hydrates revisited: Experiment and theoryen_US
dc.typeArticleen_US

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