Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5415619 | Journal of Molecular Spectroscopy | 2009 | 8 Pages |
Abstract
High-resolution (0.0013 cmâ1) 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 cmâ1 (ν10), 227.985 cmâ1 (ν12), and 1087.919 cmâ1 (ν22) for ttDFBD. Band centers are 762.891 cmâ1 (ν11) and 327.497 cmâ1 (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.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Norman C. Craig, Michael C. Moore, Chistopher F. Neese, David C. Oertel, Laura Pedraza, Tony Masiello,