FENG Shengqi. The JahnTeller Effect, Energy Level Splitting and Anisotropic Phenomena of Na3[J]. Acta Scientiarum Naturalium Universitatis SunYatseni, 2011,50(4):50-55.
FENG Shengqi. The JahnTeller Effect, Energy Level Splitting and Anisotropic Phenomena of Na3[J]. Acta Scientiarum Naturalium Universitatis SunYatseni, 2011,50(4):50-55.DOI:
Based on the JahnTeller effect and quantum theory
the JahnTeller effect of Na-3 was studied with using the methods of group theory and symmetry analyses. The vibronic Hamiltonian of the E′e′ JahnTeller system was constructed. The Hamiltonian of the system was separated into two parts using unitary shift transformation
one part is the Hamiltonian of not having phonons excited
and the other part is the Hamiltonian of having phonons excited.The ground states and their energy of the system in each minimum were obtained
and the corresponding excited states and their energy in each minimum were also derived further. It was found that there were four potential energy minima on the potential energy surface of Na3. No matter which minimum the system was in
the original ground energy level of the system was split into two energy levels. The distortion leaded to that the symmetry of Na-3 was lowered to C 2v from D3h and the vibration frequency of system was split. After the distortion
the isotropy of Na-3 was destroyed and its anisotropy should appear.