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Title: Rotational spectroscopy and three-wave mixing of 4-carvomenthenol: A technical guide to measuring chirality in the microwave regime

We apply chirality sensitive microwave three-wave mixing to 4-carvomenthenol, a molecule previously uncharacterized with rotational spectroscopy. We measure its rotational spectrum in the 2-8.5 GHz range and observe three molecular conformers. We describe our method in detail, from the initial step of spectral acquisition and assignment to the final step of determining absolute configuration and enantiomeric excess. Combining fitted rotational constants with dipole moment components derived from quantum chemical calculations, we identify candidate three-wave mixing cycles which were further tested using a double resonance method. Initial optimization of the three-wave mixing signal is done by varying the duration of the second excitation pulse. With known transition dipole matrix elements, absolute configuration can be directly determined from a single measurement.
Authors:
; ; ;  [1] ;  [2] ; ;  [3] ;  [1] ;  [2] ;  [2]
  1. Max Planck Institute for the Structure and Dynamics of Matter, 22761 Hamburg (Germany)
  2. (Germany)
  3. Department of Physics, Harvard University, Cambridge, Massachusetts 02138 (United States)
Publication Date:
OSTI Identifier:
22415932
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; CHIRALITY; DIPOLE MOMENTS; DIPOLES; DOUBLE RESONANCE METHODS; DRUGS; EXCITATION; GHZ RANGE; MATRIX ELEMENTS; MICROWAVE RADIATION; MIXING; MOLECULES; OPTIMIZATION; PULSES