The ro-vibrational spectroscopy of CH5+
Event details
Date | 23.07.2019 |
Hour | 16:30 › 17:30 |
Speaker | Profesor Tucker Carrington, Queen's University, Canada. Tucker Carrington received his Ph.D. in theoretical chemistry from the University of California at Berkeley. After graduating in 1985, he took up a postdoctoral fellowship at the Physical Chemistry Laboratory of the Eidgenoessische Technische Hochschule Zurich. After a year as a research associate at the National Research Council of Canada (collaborating with P. R. Bunker), he joined the Department of Chemistry at the University of Montreal. He rose through the ranks and was promoted to Professor in 1998. Tucker Carrington is now a Canada Research Chair at Queen's University. |
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
- Informed public
- Free
Organizer
- Professor Jiri Vanicek
Contact
- Professor Jiri Vanicek, Telephone +41 21 693 47 36, [email protected]