@article{bb32481bfc3f4d5c9d525271efb9c867,
title = "High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene",
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.",
keywords = "1,4-Difluorobutadiene isomers, High-resolution, Infrared, Rotational analysis, Rotational constants",
author = "Craig, {Norman C.} and Moore, {Michael C.} and Neese, {Chistopher F.} and Oertel, {David C.} and Laura Pedraza and Tony Masiello",
note = "Funding Information: We are grateful to Dr. Michael Lock, who recorded the initial high-resolution spectra of ttDFBD and ccDFBD at Justus Liebig Universit{\"a}t in Giessen, Germany. Deacon J. Nemchick assisted in the analysis of the bands for ttDFBD. The initial part of the investigation of the ttDFBD isomer was supported by NSF CHE-9710375. Most of the work was done under a Dreyfus Senior Scholar Mentor grant. National Science Foundation Grant 0420717 underwrote the purchase and technical support for the Beowulf computer cluster at Oberlin College. This research was also supported, in part, by the United States Department of Energy, Office of Basic Energy Sciences, Chemical Sciences Division. The high-resolution spectroscopy was performed at the W.R. Wiley Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the Department of Energy{\textquoteright}s Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated for the United States Department of Energy by Battelle under contract DE-AC05-76RLO 1830. ",
year = "2009",
month = mar,
doi = "10.1016/j.jms.2009.01.003",
language = "English (US)",
volume = "254",
pages = "39--46",
journal = "Journal of Molecular Spectroscopy",
issn = "0022-2852",
publisher = "Academic Press Inc.",
number = "1",
}