The anharmonic librational energy levels of the ammonium ion in the low-temperature phase of ammonium chloride

✍ Scribed by David Smith

• Publisher: Elsevier Science
• Year: 1988
• Tongue: English
• Weight: 190 KB
• Volume: 145
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(88)80192-1

✦ Synopsis

The energy levels due to the motion of the ammonium ion in the ordered phase of ammonium chloride are computed by diagonalizing the Hamiltonian matrices. These computed energy levels are in good agreement with the lower four anharmonic levels observed by neutron inelastic incoherent scattering, Raman spectra, and infrared spectra. The J=4 and J=6 terms of the rotational potential function are determined from atom-atom potentials of the Buckingham exp6 type. The J= 3 term in the potential, which is due to the ammonium-ammonium interaction, is adjusted so that the computed and observed librational frequencies agree.