High Resolution GHZ and Thz (ftir) Spectroscopy and Theory of Parity Violation and Tunneling for 1,2-DITHIINE (C4H4S2) as a Candidate for Measuring the Parity Violating Energy Difference Between Enantiomers of Chiral Molecules
Abstract
We report high resolution spectroscopic results for 1,2-dithiine-(1,2-dithia-3,5-cyclohexadiene,C4H4S2) in the Gigahertz and Terahertz spectroscopic ranges and exploratory theoretical calculations of parity violation and tunneling processes in view of a possible experimental determination of the parity violating energy difference ΔpvE in this chiral molecule. Theory predicts that the parity violating energy difference in the ground state (ΔpvE≃11x10-11(hc) wn)is in principle measurable as it is much larger than the calculated tunneling splitting for the symmetrical potential Δ±E≃10-24(hc) wn. With a planar transition state for stereomutation at about 2500 wn tunneling splittings become appreciable above 2300 wn. This makes levels of well defined parity accessible to parity selection by available powerful infrared lasers and thus useful for one of the existing experimental approaches towards molecular parity violation. The new GHz spectra lead to greatly improved ground state rotational parameters for 1,2-dithiine. These are used as starting point for the first successful analyses of high resolution interferometric Fourier Transform Infrared (FTIR, THz) spectra for the fundamentals ν17 (1308.873 wn or 39.23903 THz), ν22 (623.094 wn or 18.67989 THz) and ν3 (1544.900 wn or 46.314937 THz) for which highly accurate spectroscopic parameters are reported. The results are discussed in relation to current efforts to measure ΔpvE.a-.
M. Quack , Fundamental Symmetries and Symmetry Violations from High-resolution Spectroscopy, Handbook of High Resolution Spectroscopy, M. Quack and F. Merkt eds.,John Wiley & Sons Ltd, Chichester, New York, 2001, vol. 1, ch. 18, pp. 659-722 S. Albert, I. Bolotova, Z. Chen, C. Fábri, L. Horny, M. Quack, G. Seyfang and D. Zindel,Proceedings of the 20th Symposium on Atomic, Cluster and Surface Physics (SASP 2016), Innsbruck University Press, 2016, pp. 127-130, ISBN:978-3-903122-04-8. and to be published P. Dietiker, E. Miloglyadov, M. Quack, A. Schneider and G. Seyfang, J. Chem. Phys. 143, 244305 (2015). R. Prentner, M. Quack, J. Stohner and M. Willeke, J. Phys. Chem. A 119, 12805-12822 (2015)- Publication:
-
71st International Symposium on Molecular Spectroscopy
- Pub Date:
- June 2016
- DOI:
- 10.15278/isms.2016.FA06
- Bibcode:
- 2016isms.confEFA06A
- Keywords:
-
- Fundamental physics