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dc.contributor.authorXie, Minen_US
dc.contributor.authorMatsuda, Yoshiyukien_US
dc.contributor.authorFujii, Asukaen_US
dc.date.accessioned2017-04-21T06:55:35Z-
dc.date.available2017-04-21T06:55:35Z-
dc.date.issued2016-08-18en_US
dc.identifier.issn1089-5639en_US
dc.identifier.urihttp://dx.doi.org/10.1021/acs.jpca.6b05567en_US
dc.identifier.urihttp://hdl.handle.net/11536/134083-
dc.description.abstractRadical cations of n-alkanes (pentane, hexane, and heptane) in the gas phase are investigated by infrared predissociation spectroscopy with the argon Or nitrogen tagging. All-trans and gauche-involving conformers are identified for these cations by comparisons of observed infrared spectra and vibrational simulations. Intense CH stretch bands are observed in the frequency region lower than the normal alkyl CH stretch frequency. These low frequencies and high intensities of the CH stretch bands are caused by the CH bond weakening and the enhanced positive charge of the hydrogen atoms through the delocalization of the sigma electron in the CH bonds. These effects of the delocalization of the a electron result in the enhanced acidity of the CH bonds. The conformation as well as alkyl chain length dependence of the acidity of the CH bonds is demonstrated by the CH stretch frequency shift trend.en_US
dc.language.isoen_USen_US
dc.titleInfrared Spectroscopic Investigation of the Acidic CH Bonds in Cationic n-Alkanes: Pentane, Hexane, and Heptaneen_US
dc.identifier.doi10.1021/acs.jpca.6b05567en_US
dc.identifier.journalJOURNAL OF PHYSICAL CHEMISTRY Aen_US
dc.citation.volume120en_US
dc.citation.issue32en_US
dc.citation.spage6351en_US
dc.citation.epage6356en_US
dc.contributor.department應用化學系zh_TW
dc.contributor.department應用化學系分子科學碩博班zh_TW
dc.contributor.departmentDepartment of Applied Chemistryen_US
dc.contributor.departmentInstitute of Molecular scienceen_US
dc.identifier.wosnumberWOS:000381778400005en_US
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