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ABSTRACT:
SUBMITTER: Fiechter MR
PROVIDER: S-EPMC9620138 | biostudies-literature | 2022 Oct
REPOSITORIES: biostudies-literature

The journal of physical chemistry letters 20221020 42
We present a theory-experiment investigation of the helically chiral compounds Ru(acac)<sub>3</sub> and Os(acac)<sub>3</sub> 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]