The ro-vibrational spectroscopy of CH5+

Event details
Date | 23.07.2019 |
Hour | 16:30 › 17:30 |
Speaker |
Prof. Tucker Carrington Queen's University, Canada |
Location | |
Category | Conferences - Seminars |
I shall present methods for computing ro-vibrational energy levels of floppy molecules and results for CH5+. Ro-vibrational energy levels of CH5+ are determined by fixing stretch coordinates, using a simple product basis, exploiting symmetry, and carefully parallelizing the calculation. They are compared with the experimental ground state combination differences of Asvany et al. [Science, 347 1346 (2015)]. If the assignment of Asvany et al. is correct, there are important differences between the levels we compute and those observed. We propose a different assignment of the experimental levels that reduces the maximum error from 34 to 2 cm-1. The new assignment can only be correct if states of both parities exist in the experiment. Although, ro-vibrational levels of CH5+ cannot be associated with individual vibrational states, they do occur in blocks separated by gaps.
Practical information
- General public
- Free
- This event is internal
Organizer
Contact
- Annick Gaudin Delmonaco