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Nuclear Quadrupole Coupling in 2-Chloroacrylonitrile: Inertial and Principal Quadrupole Tensors for Cl and N

✍ Scribed by Z. Kisiel; L. Pszczółkowski

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
186 KB
Volume
184
Category
Article
ISSN
0022-2852

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✦ Synopsis

The double nuclear quadrupole splitting structure in 2-chloroacrylonitrile was resolved in spectra recorded with a supersonic beam, cavity Fourier transform microwave spectrometer. Splitting patterns in both a-and b-type transitions were analyzed, and perturbations arising from the proximity of the 2 2,1 and 3 1,3 rotational energy levels in the parent species allowed the determination of complete inertial quadrupole tensors for both chlorine and nitrogen. The resulting principal quadrupole tensors for these nuclei are reported, and the quadrupole asymmetry parameter for the nitrogen of the nitrile group, evaluated without any assumptions, is found to be h Å 00.060(2), which is only a little less asymmetric than that for the Cl atom, h Å 00.0846(2).

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