The tunneling frequencies of NH4+ and NH3D+ in NH4PF6

Abstract The rotational potential function for the motion of of NH 4 + in NH 4 PF 6 has been derived from atom–atom potentials. The tunneling frequencies, librational frequencies, and rotational heat capacity have been computed for NH 4 + and for ND 4 + in NH 4 PF 6 . The tunneling frequencies of NH 3 D + in NH 4 PF 6 have also been calculated.