화학공학소재연구정보센터
Chemical Physics Letters, Vol.385, No.1-2, 12-14, 2004
The tunneling frequencies of NH4+ and NH3D+ in NH4PF6
The rotational potential function for the motion of of NH4+ in NH4PF6 has been derived from atom-atom potentials. The tunneling frequencies, librational frequencies, and rotational heat capacity have been computed for NH4+ and for ND4+ in NH4PF6. The tunneling frequencies of NH3D+ in NH4PF6 have also been calculated. (C) 2003 Elsevier B.V. All rights reserved.