MICROWAVE SPECTRA, DIPOLE MOMENTS AND EQUILIBRIUM STRUCTURES OF (Z)-PENT-2-ENE-4-YNENITRILE AND MALEONITRILE

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2001

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Ohio State University

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The rotational spectra of 10 isotopomers of (Z)-pent-2-ene-4-ynenitrile and 6 isotopomers of maleonitrile were measured using pulsed supersonic nozzle, Fourier-transform microwave spectroscopy. The ground state rotational constants in each case were adjusted for vibration-rotation interaction effects using ab initio force field calculations. The resulting equilibrium rotational constants were in very good agreement with those from high level ab initio calculations. Stark effect measurements allowed dipole moments of 3.53(3) D and 5.32(6) D, respectively to be determined for the two molecules. The equilibrium structural parameters and comparisons with calculated values will be presented.

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Author Institution: University Of Michigan; Department Of Chemistry, University Of Michigan; Department Of Chemistry, University Of Wisconsin; Department Of Chemistry, University Of Wisconsin; Department Of Chemistry, University Of Texas At Austin

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