THE VIBRATIONAL SPECTRUM, STRUCTURE, AND INVERSION MODE OF CYANAMIDE

Abstract

“The infrared and Raman Spectra of $H_{2}NCN$ and $D_{2}NCN$ have been examined in the region of $2.5\mu$ to $35\mu$. Polarization data imply a planar configuration, but the experimental data for the region beyond 12 $\mu$ are inconsistent with this. The observed product rule ration for the symmetric N--H stretch, $NH_{2}$ deformation, N--C stretch and the $C\equiv N$ stretches are also inconsistent with a planar molecule. The observations do fit a non-planar molecule with an invertion barrier described by a Manning potential. Properties of the continued fraction arising from the Manning potential and their effect upon the calculated transitions are discussed. From the calculated and observed inversion spectrum, the barrier height, and equilibrium position are found to be $660 cm^{-1}$ and 0.17 {\AA} respectively. Practivally every distinct feature of the infrared and Raman spectra of the liquid state for both isotopic species may be given a satisfactory assignment with this model.”