Analysis of the Rotational Structure in a C-Type Band in the High-Resolution Infrared Spectrum of trans,trans-1,4-DIFLUOROBUTADIENE-1-d_{1}

Details Analysis of the Rotational Structure in a C-Type Band in the High-Resolution Infrared Spectrum of trans,trans-1,4-DIFLUOROBUTADIENE-1-d_{1} Analysis of the Rotational Structure in a C-Type Band in the High-Resolution Infrared Spectrum of trans,trans-1,4-DIFLUOROBUTADIENE-1-d_{1}

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confeta12c&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Microwave

Scientific paper

A mixture of deuterium isotopomers of trans,trans-1,4-difluorobutadiene (ttDFBD) was prepared by partial exchange with NaOD/D_{2}O. A prominent component of the mixture was the 1-d_{1} species. The rotational structure in a C-type band of this species centered at 920.5 cm^{-1} was analyzed in the high-resolution (0.002 cm^{-1}) infrared spectrum. The analysis of this band was compromised by large contributions from a C-type band at 893 cm^{-1} in the spectrum of ttDFBD-1,4-d_{2}. Provisional ground state rotational constants for ttDFBD-1-d_{1} are reported. We have recently shown that 1-fluoroethylene can be exchanged with NaOD/D_{2}O to give 1-fluoroethylene-1-d_{1}, which can be used in known chemistry to make pure DFBD-1- d_{1}. An improved high-resolution infrared spectrum of ttDFBD-1-d_{1} will be obtained. This method will also yield cis,cis-DFBD-1-d_{1} for investigation. Rotational constants for ttDFBD-1-d_{1} and ccDFBD-1-d_{1} are needed for determining the semi-experimental equilibrium structures of the two nonpolar isomers of DFBD.

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