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Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)₃ and Os(acac)₃.

ABSTRACT: We present a theory-experiment investigation of the helically chiral compounds Ru(acac)₃ and Os(acac)₃ as 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)₃ carried out as the first steps toward the planned experiment are presented.

SUBMITTER: Fiechter MR

PROVIDER: S-EPMC9620138 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature

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Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)3 and Os(acac)3.

Fiechter Marit R MR Haase Pi A B PAB Saleh Nidal N Soulard Pascale P Tremblay Benoît B Havenith Remco W A RWA Timmermans Rob G E RGE Schwerdtfeger Peter P Crassous Jeanne J Darquié Benoît B Pašteka Lukáš F LF Borschevsky Anastasia A

The journal of physical chemistry letters 20221020 42

We present a theory-experiment investigation of the helically chiral compounds Ru(acac)3 and Os(acac)3 as 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 construc ...[more]

PMID: 36264147

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