Vibrational spectra for trans-dimethyldiazene-1,1,1-d3(azomethane). Potential functions for trans-dimethyldiazene and trans-methyldiazene
Gas-phase and matrix infrared spectra and gas-, liquid-, and solid-phase Raman spectra of trans-dimethyldiazene-1,1,1-d3(CH3N = NCD3) have been recorded. A complete vibrational assignment has been secured for this molecule based on direct observation of 23 of the 24 fundamentals. Gas-phase Raman spectra have also been obtained for trans-dimethyldiazene-d0and -d6, which supplement published infrared and Raman spectra. On the basis of these spectra and the assignment for the d3isotopic species revised vibrational assignments for the d0and d6species are proposed. The valence-type potential function that was fitted to the d0and d6molecules by Pearce, Levin, and Harris has been confirmed and refined by including the frequencies of the d3molecule in a normal coordinate calculation. This potential function has also been adapted to trans-methyldiazene (CH3N = NH). The potential energy distributions for these two simple diazenes correlate closely for many of the normal modes. For the methyl group torsional frequencies of trans-methyldiazene contributions of both kinetic and potential energy coupling are identified. © 1978 American Institute of Physics.
Craig, NC; Ackermann, MN; MacPhail, RA
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