High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene

Title:
High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene
Authors:
Craig, Norman C.; Moore, Michael C.; Neese, Christopher F.; Oertel, David C.; Pendraza, Laura; Masiello, Tony
Abstract:
High-resolution (0.0013 cm−1) infrared spectra have been recorded for trans,trans-1,4-difluorobutadiene (ttDFBD) and cis,cis-1,4-difluorobutadiene (ccDFBD). The rotational structure in two C-type bands (ν10 and ν12) and one A-type band (ν22) for ttDFBD and in two C-type bands (ν11 and ν12) for ccDFBD has been analyzed. Ground state and upper state rotational constants, except for ν10 of ttDFBD, have been fitted. Band centers are 934.1 cm−1 (ν10), 227.985 cm−1 (ν12), and 1087.919 cm−1 (ν22) for ttDFBD. Band centers are 762.891 cm−1 (ν11) and 327.497 cm−1 (ν12) for ccDFBD. The small inertial defects in the ground state confirm that both isomers are planar. Obtaining the ground state rotational constants for the two isomers of DFBD is a first step toward determining their semi-experimental equilibrium structures.
Citation:
Craig, N.C., M.C. Moore, C.F. Neese, D.C. Oertel, L. Pedraza, and T. Masiello. March 2009. "High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene." Journal of Molecular Spectroscopy 254(1): 39-46.
Publisher:
Elsevier
DATE ISSUED:
2009
Department:
Chemistry
Type:
Article
PUBLISHED VERSION:
10.1016/j.jms.2009.01.003
PERMANENT LINK:
http://hdl.handle.net/11282/334035

Full metadata record

DC FieldValue Language
dc.contributor.authorCraig, Norman C.en
dc.contributor.authorMoore, Michael C.en
dc.contributor.authorNeese, Christopher F.en
dc.contributor.authorOertel, David C.en
dc.contributor.authorPendraza, Lauraen
dc.contributor.authorMasiello, Tonyen
dc.date.accessioned2014-11-10T14:12:51Zen
dc.date.available2014-11-10T14:12:51Zen
dc.date.issued2009en
dc.identifier.citationCraig, N.C., M.C. Moore, C.F. Neese, D.C. Oertel, L. Pedraza, and T. Masiello. March 2009. "High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene." Journal of Molecular Spectroscopy 254(1): 39-46.en
dc.identifier.issn0022-2852en
dc.identifier.urihttp://hdl.handle.net/11282/334035en
dc.description.abstractHigh-resolution (0.0013 cm−1) infrared spectra have been recorded for trans,trans-1,4-difluorobutadiene (ttDFBD) and cis,cis-1,4-difluorobutadiene (ccDFBD). The rotational structure in two C-type bands (ν10 and ν12) and one A-type band (ν22) for ttDFBD and in two C-type bands (ν11 and ν12) for ccDFBD has been analyzed. Ground state and upper state rotational constants, except for ν10 of ttDFBD, have been fitted. Band centers are 934.1 cm−1 (ν10), 227.985 cm−1 (ν12), and 1087.919 cm−1 (ν22) for ttDFBD. Band centers are 762.891 cm−1 (ν11) and 327.497 cm−1 (ν12) for ccDFBD. The small inertial defects in the ground state confirm that both isomers are planar. Obtaining the ground state rotational constants for the two isomers of DFBD is a first step toward determining their semi-experimental equilibrium structures.en
dc.language.isoen_USen
dc.publisherElsevieren
dc.identifier.doi10.1016/j.jms.2009.01.003en
dc.subject.departmentChemistryen
dc.titleHigh-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadieneen
dc.typeArticleen
dc.identifier.journalJournal of Molecular Spectroscopyen
dc.subject.keyword1,4-difluorobutadiene isomersen
dc.subject.keywordHigh-resolutionen
dc.subject.keywordInfrareden
dc.subject.keywordRotational analysisen
dc.subject.keywordRotational constantsen
dc.identifier.volume254en
dc.identifier.issue1en
dc.identifier.startpage39en
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