TY - JOUR
T1 - Chiral molecule candidates for trapped ion spectroscopy by ab initio calculations
T2 - From state preparation to parity violation
AU - Landau, Arie
AU - Eduardus, null
AU - Behar, Doron
AU - Wallach, Eliana Ruth
AU - Pašteka, Lukáš F.
AU - Faraji, Shirin
AU - Borschevsky, Anastasia
AU - Shagam, Yuval
N1 - Publisher Copyright: © 2023 Author(s).
PY - 2023/9/21
Y1 - 2023/9/21
N2 - Parity non-conservation (PNC) due to the weak interaction is predicted to give rise to enantiomer dependent vibrational constants in chiral molecules, but the phenomenon has so far eluded experimental observation. The enhanced sensitivity of molecules to physics beyond the Standard Model (BSM) has led to substantial advances in molecular precision spectroscopy, and these may be applied to PNC searches as well. Specifically, trapped molecular ion experiments leverage the universality of trapping charged particles to optimize the molecular ion species studied toward BSM searches, but in searches for PNC, only a few chiral molecular ion candidates have been proposed so far. Importantly, viable candidates need to be internally cold, and their internal state populations should be detectable with high quantum efficiency. To this end, we focus on molecular ions that can be created by near threshold resonant two-photon ionization and detected via state-selective photo-dissociation. Such candidates need to be stable in both charged and neutral chiral versions to be amenable to these methods. Here, we present a collection of suitable chiral molecular ion candidates we have found, including CHDBrI+ and CHCaBrI+, that fulfill these conditions according to our ab initio calculations. We find that organo-metallic species have low ionization energy as neutrals and relatively high dissociation thresholds. Finally, we compute the magnitude of the PNC values for vibrational transitions for some of these candidates. An experimental demonstration of state preparation and readout for these candidates will be an important milestone toward measuring PNC in chiral molecules for the first time.
AB - Parity non-conservation (PNC) due to the weak interaction is predicted to give rise to enantiomer dependent vibrational constants in chiral molecules, but the phenomenon has so far eluded experimental observation. The enhanced sensitivity of molecules to physics beyond the Standard Model (BSM) has led to substantial advances in molecular precision spectroscopy, and these may be applied to PNC searches as well. Specifically, trapped molecular ion experiments leverage the universality of trapping charged particles to optimize the molecular ion species studied toward BSM searches, but in searches for PNC, only a few chiral molecular ion candidates have been proposed so far. Importantly, viable candidates need to be internally cold, and their internal state populations should be detectable with high quantum efficiency. To this end, we focus on molecular ions that can be created by near threshold resonant two-photon ionization and detected via state-selective photo-dissociation. Such candidates need to be stable in both charged and neutral chiral versions to be amenable to these methods. Here, we present a collection of suitable chiral molecular ion candidates we have found, including CHDBrI+ and CHCaBrI+, that fulfill these conditions according to our ab initio calculations. We find that organo-metallic species have low ionization energy as neutrals and relatively high dissociation thresholds. Finally, we compute the magnitude of the PNC values for vibrational transitions for some of these candidates. An experimental demonstration of state preparation and readout for these candidates will be an important milestone toward measuring PNC in chiral molecules for the first time.
UR - http://www.scopus.com/inward/record.url?scp=85171808574&partnerID=8YFLogxK
U2 - https://doi.org/10.1063/5.0163641
DO - https://doi.org/10.1063/5.0163641
M3 - مقالة
C2 - 37724734
SN - 0021-9606
VL - 159
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 11
M1 - 114307
ER -