Vibrational spectra of trans-2,3-difluorooxirane and its 18O and 2H isotopic modifications

Title:
Vibrational spectra of trans-2,3-difluorooxirane and its 18O and 2H isotopic modifications
Authors:
Craig, Norman C.; Gillies, C. W.
Abstract:
Infrared and Raman spectra are reported for trans-2,3-difluorooxirane (difluoroethylene oxide) and its 18O and d2 isotopic modifications. Complete assignments of the vibrational fundamentals of the three species are proposed. The frequencies(in cm−)for the d0 species are:(a) 3086, 1480, 1271, 1162, 1057, 954, 511, 320; (b) 3068, 1320, 1135, 1099, 830, 578, 328. From the frequency shifts with isotopic substitution as well as group frequency considerations the normal modes are characterized approximately in terms of symmetry coordinates. CC stretching is mixed with symmetric CH bending but is largely in ν2, symmetric COC stretching is divided between ν4 and ν6, and antisymmetric COC stretching is divided between ν12, ν13, and ν14. The characterizations of the normal modes of trans-2,3-difluorooxirane have led to some revisions in the descriptions of the modes of the isoelectronic molecule, trans-1,2-difluorocyclopropane.
Citation:
Craig, Norman C. and CW Gillies. 1988. "Vibrational spectra of trans-2,3-difluorooxirane and its 18O and 2H isotopic modifications." Spectrochimica Acta Part A: Molecular Spectroscopy 44(6): 619-627.
DATE ISSUED:
1988
Department:
Chemistry
Type:
Article
PUBLISHED VERSION:
10.1016/0584-8539(88)80117-X
PERMANENT LINK:
http://hdl.handle.net/11282/334128

Full metadata record

DC FieldValue Language
dc.contributor.authorCraig, Norman C.en
dc.contributor.authorGillies, C. W.en
dc.date.accessioned2014-11-10T14:14:18Z-
dc.date.available2014-11-10T14:14:18Z-
dc.date.issued1988en
dc.identifier.citationCraig, Norman C. and CW Gillies. 1988. "Vibrational spectra of trans-2,3-difluorooxirane and its 18O and 2H isotopic modifications." Spectrochimica Acta Part A: Molecular Spectroscopy 44(6): 619-627.en
dc.identifier.issn0584-8539en
dc.identifier.urihttp://hdl.handle.net/11282/334128-
dc.description.abstractInfrared and Raman spectra are reported for trans-2,3-difluorooxirane (difluoroethylene oxide) and its 18O and d2 isotopic modifications. Complete assignments of the vibrational fundamentals of the three species are proposed. The frequencies(in cm−)for the d0 species are:(a) 3086, 1480, 1271, 1162, 1057, 954, 511, 320; (b) 3068, 1320, 1135, 1099, 830, 578, 328. From the frequency shifts with isotopic substitution as well as group frequency considerations the normal modes are characterized approximately in terms of symmetry coordinates. CC stretching is mixed with symmetric CH bending but is largely in ν2, symmetric COC stretching is divided between ν4 and ν6, and antisymmetric COC stretching is divided between ν12, ν13, and ν14. The characterizations of the normal modes of trans-2,3-difluorooxirane have led to some revisions in the descriptions of the modes of the isoelectronic molecule, trans-1,2-difluorocyclopropane.en
dc.language.isoen_USen
dc.identifier.doi10.1016/0584-8539(88)80117-Xen
dc.subject.departmentChemistryen
dc.titleVibrational spectra of trans-2,3-difluorooxirane and its 18O and 2H isotopic modificationsen
dc.typeArticleen
dc.identifier.journalSpectrochimica Acta Part A: Molecular Spectroscopyen
dc.identifier.volume44en
dc.identifier.issue6en
dc.identifier.startpage619en
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