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THE MICROWAVE SPECTRUM AND NUCLEAR QUADRUPOLE COUPLING OF MONOBROMOACETONITRILE
Mary L. Gum, Jack D. Graybeal
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Abstract
The microwave spectrum of monobromoace tonitrile, $CH_{2}BrCN$, has been investigated in the P- and R-bands. Transitions for the two naturally occurring bromine isotopic species have been assigned. The rotational constants for the $^{79}Br$ species are A = 21 971.02, B = 2196.75, C = 2020.84 and those for the $^{81}Br$ species are A = 21 947.67, B = 2181.21, C = 2007.49. The hyperfine structure due to nuclear quadrupole coupling exhibits a large amount of second order effect, exceeding the first order effect for some transitions. Nuclear quadrupole coupling parameters for the $^{79}Br$ species are $X_{aa} = 342, X_{bb} = - 25, X_{ab} = - 438, X_{zz} = 634$ MHz. The structure of the molecule and the nuclear quadrupole coupling will be discussed.