PRELIMINARY ANALYSIS OF A C-TYPE BAND IN THE HIGH-RESOLUTION INFRARED SPECTRUM OF EE-1,4-DIFLUOROBUTADIENE

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1998

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Ohio State University

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As part of a study of nonpolar molecules that exhibit surprising energy relationships among isomers, a C-type band in the infrared spectrum of the EE (trans-trans) isomer of 1,4-difluorobutadiene is being investigated. This band, centered at $934 cm^{-1}$, is due to CH out-of-plane flapping. Although the band structure contains evidence of substantial perturbations, the rotational structure at $0.002 cm^{-1}$ resolution appears to be fully assignable. Preliminary rotational constants for the ground state are $A = 1.0507499 (14), B = 0.0389603 (47)$, and $C = 0.0375881 (40) cm^{-1}$ for this near-prolate symmetric top with $\kappa = -0.99729$. A synthetic method has been found to make the deuterated isotopomers needed for the complete structural analysis of the isomers of 1,4-difluorobutadiene.

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Author Institution: Department of Chemistry, Oberlin College; Physikalisch-Chemisches-Institut der Justus-Liebig-Universit\""{a}t, D-35392 Giessen

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