Knowledge Bank

The electrostatic contributions to molecular orientation, binding energy, and vibrational frequency shift (C-H stretching motion) have been calculated for HCN molecules adsorbed on the (100) face of NaCl. A large set of electrostatic moments, polarizabilities, and hyperpolarizabilities were $used1$ with the model for the electrostatic potential above the surface taking into account the continuous distribution of charge within the $crystal2$. The present results are compared to previous calculations and experiments involving HCN adsorbed on NaCl films.