| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5415508 | Journal of Molecular Spectroscopy | 2008 | 4 Pages |
Abstract
Vibration-rotation energy levels for T3+, H2T+, T2H+, D2T+ and T2D+ are reported. These were calculated using the high accuracy model of Polyansky and Tennyson (J. Chem. Phys. 110 (1999) 5056) which explicitly allows for both adiabatic and non-adiabatic corrections to the Born-Oppenheimer approximation. These levels should be reliable to better than 0.05Â cmâ1 and can thus be used to make reliable predictions of infrared spectra for the triterated H3+ species.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Amit Amin, Jude Nazareth, Jonathan Tennyson,