Relativistic Jahn—Teller effect Gg[3/2]×(t2g + eg) in cubic and octahedral molecules
- Авторы: Poluyanov L.1, Volokhov V.1
-
Учреждения:
- Institute of Problems of Chemical Physics, Russian Academy of Sciences
- Выпуск: Том 65, № 8 (2016)
- Страницы: 1966-1970
- Раздел: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/238709
- DOI: https://doi.org/10.1007/s11172-016-1537-2
- ID: 238709
Цитировать
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.
Об авторах
L. Poluyanov
Institute of Problems of Chemical Physics, Russian Academy of Sciences
Автор, ответственный за переписку.
Email: vvm@pro.icp.ac.ru
Россия, 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
Россия, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432