Raman and far‐infrared spectra of cyanamide at 20 and 90 K: Atom‐atom potentials and lattice frequencies

Abstract

AbstractThe Raman and infrared spectra of cyanamide have been remeasured at lower temperatures (20 K) and higher laser powers (for the Raman). The recently obtained structure of cyanamide was used as a basis for calculations of the lattice dynamics. Standard models using atom‐atom potentials of the exp ‐ 6 form, an exponentially decaying attractive potential for the hydrogen bond and distributed dipoles on the atoms, gave good fits to the structural parameters and, with scaling, gave moderately good values for the lattice frequencies provided that it was assumed that the modes associated with librations about the long axis of the molecule were not observed.