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NWHClI: a small and compact chiral molecule with large parity-violation effects in the vibrational spectrum
Detlev Figgen1, Anton Koers, Peter Schwerdtfeger
1Centre for Theoretical Chemistry and Physics, New Zealand Institute for Advanced Study, Massey University Albany, North Shore City, Auckland, New Zealand.
Abstract:
Small but mighty: An unprecedented large parity-violation energy difference of 0.7 Hz for the N-W stretching frequency of N≡WHClI, which conveniently lies in the CO(2) laser frequency range, is predicted from relativistic density functional theory. This result could lead to the first successful detection of such effects in chiral molecules.
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