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Infrared Laser Spectroscopy of Imidazole Complexes in Helium Nanodroplets:  Monomer, Dimer, and Binary Water Complexes

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    Infrared Laser Spectroscopy of Imidazole Complexes in Helium Nanodroplets:  Monomer, Dimer, and Binary Water Complexes
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    Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599
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    The Journal of Physical Chemistry A

    Cite this: J. Phys. Chem. A 2006, 110, 30, 9344–9351
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    https://doi.org/10.1021/jp0624146
    Published July 8, 2006
    Copyright © 2006 American Chemical Society
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    Abstract

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    Infrared laser spectroscopy has been used to characterize imidazole (IM), imidazole dimer (IMD), and imidazole−water (IMW) binary systems formed in helium nanodroplets. The experimental results are compared with ab initio calculations reported here. Vibrational transition moment angles provide conclusive assignments for the various complexes studied here, including IM, one isomer of IMD, and two isomers of the IMW binary complexes.

    Copyright © 2006 American Chemical Society

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     To whom correspondence should be addressed. E-mail:  [email protected].

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     Deceased November 6, 2005.

    Supporting Information Available

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    Figure of the four lowest energy IM dimers (IMD, IMD1, IMD2, and IMD3), energies and optimized geometries of the four IMDs, and summary of the experimental and ab initio data for the four IMDs. This material is available free of charge via the Internet at http://pubs.acs.org.

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    The Journal of Physical Chemistry A

    Cite this: J. Phys. Chem. A 2006, 110, 30, 9344–9351
    Click to copy citationCitation copied!
    https://doi.org/10.1021/jp0624146
    Published July 8, 2006
    Copyright © 2006 American Chemical Society
    Request reuse permissions

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