MICROWAVE SPECTRUM OF 1-CHLORO-1-FLUROETHANE
Loading...
Date
1973
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The microwave spectrum of $CH_{3}CHF^{35}$ Cl has been assigned up to J = 60; the rotational constants and centrifugal distortion constants are (in MHz): A = 9016.13, B = 4666.67, C = 3329.37, $\Delta_{J}$ = - 0.0020967, $\Delta_{JK}$ = 0.0030325, $\Delta_{K}$ = 0.0059960, $\delta_{J}$ = 0.00043553, $\delta_{K}$ = 0.0038657. The quadrupole coupling constants are (in MHz): $X_{aa} = - 62.26, X_{ab} = 34.18, X_{cc} = 28.08$. The $^{37}Cl$ isotope has rotational constants A = 9015.23, B = 4538.24, C = 3262.81 MHz. Assuming the same methyl group as $CH_{3}CH_{2}Cl$, a partial structure is C $-$ C = 1.529 \AA, C $-$ Cl = 1.731 \AA, C - F = 1.399 \AA, $\Delta$ CCCl = $111.27^{\circ}$, $\Delta$ CCF = $106.99^{\circ}$. The relative intensity of the V = 1 excited torsional state of the $^{35}$Cl isotope indicates a barrier to internal torsion of 3.9 $\bot$ 0.3 kcal/mole.
Description
Author Institution: Department of Chemistry, University of Cincinnati