Relativistic Jahn—Teller effect Gg[3/2]×(t2g + eg) in cubic and octahedral molecules
- Авторлар: Poluyanov L.1, Volokhov V.1
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Мекемелер:
- Institute of Problems of Chemical Physics, Russian Academy of Sciences
- Шығарылым: Том 65, № 8 (2016)
- Беттер: 1966-1970
- Бөлім: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/238709
- DOI: https://doi.org/10.1007/s11172-016-1537-2
- ID: 238709
Дәйексөз келтіру
Аннотация
The properties of the symmetry of the vibronic Hamiltonian of the multimode relativistic Jahn—Teller effect Gg[3/2]×(t2g + eg) in cubic and octahedral molecules are studied. The Hamiltonian considered corresponds to the half-integer spin of the electron shell and the linear approximation on the vibrational normal modes t2g and eg. The angular variables were separated, and biradial dynamic equations and analytical expressions for the biradial potential energy surfaces were obtained. The positions of the low-lying resonances in two upper potential “bowls” were found.
Авторлар туралы
L. Poluyanov
Institute of Problems of Chemical Physics, Russian Academy of Sciences
Хат алмасуға жауапты Автор.
Email: vvm@pro.icp.ac.ru
Ресей, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432
V. Volokhov
Institute of Problems of Chemical Physics, Russian Academy of Sciences
Email: vvm@pro.icp.ac.ru
Ресей, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432