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Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl·IOH Complex with Cryogenic Ion Vibrational Spectroscopy
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    Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl·IOH Complex with Cryogenic Ion Vibrational Spectroscopy
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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2022, 13, 12, 2750–2756
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    https://doi.org/10.1021/acs.jpclett.2c00218
    Published March 22, 2022
    Copyright © 2022 American Chemical Society

    Abstract

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    In the presence of a halide ion, hypohalous acids can adopt two binding motifs upon formation of the ion–molecule complexes [XHOY] (X, Y = Cl, Br, I): a hydrogen (HB) bond to the acid OH group and a halogen (XB) bond between the anion and the acid halogen. Here we isolate the X-bonded Cl·IOH ion–molecule complex by collisions of I·(H2O)n clusters with HOCl vapor and measure its vibrational spectrum by IR photodissociation of the H2-tagged complex. Anharmonic analysis of its vibrational band pattern reveals that formation of the XB complex results in dramatic lowering of the HOI bending fundamental frequency and elongation of the O–I bond (by 168 cm–1 and 0.13 Å, respectively, relative to isolated HOI). The frequency of the O–I stretch (estimated 436 cm–1) is also encoded in the spectrum by the weak v = 0 → 2 overtone transition at 872 cm–1.

    Copyright © 2022 American Chemical Society

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    This article is cited by 9 publications.

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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2022, 13, 12, 2750–2756
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.2c00218
    Published March 22, 2022
    Copyright © 2022 American Chemical Society

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