Vibrational spectra for t r a n s‐dimethyldi azene‐1,1,1‐d 3 (azomethane). Potential functions for t r a n s‐dimethyldi azene and t r a n s‐methyldiaz ene
Gas‐phase and matrix infrared spectra and gas‐, liquid‐, and solid‐phase Raman spectra of t r a n s‐dimethyldiazene‐1,1,1‐d 3 (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 t r a n s‐dimethyldiazene‐d 0 and ‐d 6, which supplement published infrared and Raman spectra. On the basis of these spectra and the assignment for the d 3 isotopic species revised vibrational assignments for the d 0 and d 6 species are proposed. The valence‐type potential function that was fitted to the d 0 and d 6 molecules by Pearce, Levin, and Harris has been confirmed and refined by including the frequencies of the d 3 molecule in a normal coordinate calculation. This potential function has also been adapted to t r a n s‐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 t r a n s‐methyldiazene contributions of both kinetic and potential energy coupling are identified.
Craig, Norman C., Martin N. Ackermann, and Richard A. MacPhail. 1978. "Vibrational spectra for trans‐dimethyldiazene‐1,1,1‐d3 (azomethane). Potential functions for trans‐dimethyldiazene and trans‐methyldiazene." Journal of Chemical Physics 68: 236-246.
Journal of Chemical Physics
Chemistry and Biochemistry