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

Shubert, V. A., Schmitz, D., Medcraft, C., Krin, A., Patterson, D., Doyle, J. M., et al. (2015). Rotational spectroscopy and three-wave mixing of 4-carvomenthenol: A technical guide to measuring chirality in the microwave regime. The Journal of Chemical Physics, 142(21): 214201. doi:10.1063/1.4921833.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-B134-7 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-EC21-0
Genre: Journal Article

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1.4921833.pdf (Publisher version), 2MB
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2015
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© American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
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http://dx.doi.org/10.1063/1.4921833 (Publisher version)
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 Creators:
Shubert, V. Alvin1, 2, Author              
Schmitz, David1, 2, 3, Author              
Medcraft, Chris1, 2, Author              
Krin, Anna1, 2, 3, Author              
Patterson, David4, Author
Doyle, John M.4, Author
Schnell, Melanie1, 2, 5, Author              
Affiliations:
1Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938292              
2Center for Free-Electron Laser Science, 22761 Hamburg, Germany, ou_persistent22              
3International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266714              
4Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA, ou_persistent22              
5The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, 22761 Hamburg, Germany, ou_persistent22              

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Free keywords: Three wave mixing; Electric dipole moments; Chiral symmetries; Rotation constants; Molecular conformation
 Abstract: 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.

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Language(s): eng - English
 Dates: 2015-04-012015-05-182015-06-022015-06-07
 Publication Status: Published in print
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1063/1.4921833
 Degree: -

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Title: The Journal of Chemical Physics
  Other : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: - Volume / Issue: 142 (21) Sequence Number: 214201 Start / End Page: - Identifier: ISSN: 0021-9606
CoNE: /journals/resource/954922836226