Open Collections

Pseudorotational energy spectrum of an octahedral molecule with 1/2-integer spin

University of British Columbia

The Jahn-Teller effect, which underlies non-linear molecular energy spectra, has been the focus of many studies and measurements since its discovery in the 1930's. In this work we theoretically calculate the pseudorotational energy spectrum of an octahedral molecule using a two parameter fit. In particular we calculate the doubly degenerate energy levels belonging to the Fg <S>(e©£2g) problem. The Born-Oppenheimer Hamiltonian is constructed and solved on the canonical line bundle over HP(l). According to the strong Jahn-Teller approximation, the non-Jahn-Teller active vibrations are built upon the solutions to the Born-Oppenheimer Hamiltonian. This complete spectrum is compared to spectral data taken using IrFg.

Thesis/Dissertation

application/pdf

2009-05-28

For non-commercial purposes only, such as research, private study and education. Additional conditions apply, see Terms of Use https://open.library.ubc.ca/terms_of_use.

http://hdl.handle.net/2429/8399

Physics

University of British Columbia

UBCV

DSpace