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

Norman C. Craig*, Michael C. Moore, Chistopher F. Neese, David C. Oertel, Laura Pedraza, Tony Masiello

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    3 Scopus citations

    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-110), 227.985 cm-112), and 1087.919 cm-122) for ttDFBD. Band centers are 762.891 cm-111) and 327.497 cm-112) 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.

    Original languageEnglish (US)
    Pages (from-to)39-46
    Number of pages8
    JournalJournal of Molecular Spectroscopy
    Volume254
    Issue number1
    DOIs
    StatePublished - Mar 2009

    Keywords

    • 1,4-Difluorobutadiene isomers
    • High-resolution
    • Infrared
    • Rotational analysis
    • Rotational constants

    ASJC Scopus subject areas

    • Atomic and Molecular Physics, and Optics
    • Spectroscopy
    • Physical and Theoretical Chemistry

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