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Journal of Chemical Physics / Volume 119 / Issue 10 / ARTICLES / Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

J. Chem. Phys. 119, 5105 (2003); http://dx.doi.org/10.1063/1.1597491 (12 pages)

Theory of a two-step enantiomeric purification of racemic mixtures by optical means: The D2S2 molecule

Ioannis Thanopulos1, Petr Král1, and Moshe Shapiro2,3

1Department of Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel
2Department of Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel,
3the Departments of Chemistry and Physics, The University of British Columbia, Vancouver, Canada

(Received 11 April 2003; accepted 11 June 2003)

We present an optical “enantio-purification switch” that turns in two steps a racemic mixture of left-handed and right-handed chiral molecules into a pure sample containing the enantiomer of interest. The optical switch is composed of an “enantio discriminator” and an “enantio converter” acting in tandem. The method is robust, insensitive to decay processes, and does not require molecular preorientation. We demonstrate the method for the nanosecond purification of a racemate of (transiently chiral) D2S2 molecules. The energies of the rovibrational states and the related dipole elements are obtained by ab initio calculations. © 2003 American Institute of Physics.

© 2003 American Institute of Physics

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KEYWORDS and PACS

Keywords

deuterium compounds, mixtures, isomerism, molecule-photon collisions, rotational-vibrational states, ab initio calculations

PACS

  • 33.80.-b

    Photon interactions with molecules

  • 33.15.Hp

    Barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics)

  • 33.15.Mt

    Rotation, vibration, and vibration-rotation constants

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.1597491

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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