Rotational Spectra and ab initio Calculations of the Ne–H₂CO van der Waals Complex.

Dean Court and Wolfgang Jäger
Department of Chemistry, University of Alberta, Edmonton AB  T6G 2G2, Canada

Rotational spectra of the Ne–H₂CO van der Waals complex were measured between 4 and 26 GHz using a pulsed jet cavity Fourier transform microwave spectrometer. The isotopomers studied include those of H₂CO and D₂CO with two isotopes of Ne. Deuterium nuclear quadrupole hyperfine structure was resolvable for some transitions and analyzed. Rotational and centrifugal distortion constants were determined and used to calculate structural parameters. Structural parameters from ab initio calculations on the MP2 level will be compared with experimental results.

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