TY - JOUR
T1 - Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)3and Os(acac)3
AU - Fiechter, Marit R.
AU - Haase, Pi A. B.
AU - Saleh, Nidal
AU - Soulard, Pascale
AU - Tremblay, Benoît
AU - Havenith, Remco W.A.
AU - Timmermans, Rob G. E.
AU - Schwerdtfeger, Peter
AU - Crassous, Jeanne
AU - Darquié, Benoît
AU - Pašteka, Lukáš F.
AU - Borschevsky, Anastasia
N1 - Funding Information:
The authors thank the Center for Information Technology of the University of Groningen for their support and for providing access to the Peregrine high-performance computing cluster, and they are grateful to Stefan Knecht and Charles Desfrançois for useful discussions. LFP acknowledges the support from the Slovak Research and Development Agency (APVV-20-0098, APVV-20-0127) and the Scientific Grant Agency of the Slovak Republic (1/0777/19). The authors also acknowledge financial support from the ANR project PVCM (Grant No. ANR15-CE30-0005-01) and Ile-de-France region (DIM-NanoK).
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/10/27
Y1 - 2022/10/27
N2 - We present a theory-experiment investigation of the helically chiral compounds Ru(acac)3and Os(acac)3as candidates for next-generation experiments for detection of molecular parity violation (PV) in vibrational spectra. We used relativistic density functional theory calculations to identify optimal vibrational modes with expected PV effects exceeding by up to 2 orders of magnitude the projected instrumental sensitivity of the ultrahigh resolution experiment under construction at the Laboratoire de Physique des Lasers in Paris. Preliminary measurements of the vibrational spectrum of Ru(acac)3carried out as the first steps toward the planned experiment are presented.
AB - We present a theory-experiment investigation of the helically chiral compounds Ru(acac)3and Os(acac)3as candidates for next-generation experiments for detection of molecular parity violation (PV) in vibrational spectra. We used relativistic density functional theory calculations to identify optimal vibrational modes with expected PV effects exceeding by up to 2 orders of magnitude the projected instrumental sensitivity of the ultrahigh resolution experiment under construction at the Laboratoire de Physique des Lasers in Paris. Preliminary measurements of the vibrational spectrum of Ru(acac)3carried out as the first steps toward the planned experiment are presented.
UR - https://www.scopus.com/pages/publications/85140735107
U2 - 10.1021/acs.jpclett.2c02434
DO - 10.1021/acs.jpclett.2c02434
M3 - Article
C2 - 36264147
AN - SCOPUS:85140735107
SN - 1948-7185
VL - 13
SP - 10011
EP - 10017
JO - The Journal of Physical Chemistry Letters
JF - The Journal of Physical Chemistry Letters
IS - 42
ER -