Water Docking Bias in [4]Helicene
Corresponding Author
Dr. Sérgio R. Domingos
Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Search for more papers by this authorDr. Kévin Martin
MOLTECH-Anjou, UMR 6200, CNRS, UNIV Angers, 2 bd Lavoisier, 49045 Angers Cedex, France
Search for more papers by this authorDr. Narcis Avarvari
MOLTECH-Anjou, UMR 6200, CNRS, UNIV Angers, 2 bd Lavoisier, 49045 Angers Cedex, France
Search for more papers by this authorCorresponding Author
Prof. Dr. Melanie Schnell
Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth-Straße 1, 24118 Kiel, Germany
Search for more papers by this authorCorresponding Author
Dr. Sérgio R. Domingos
Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Search for more papers by this authorDr. Kévin Martin
MOLTECH-Anjou, UMR 6200, CNRS, UNIV Angers, 2 bd Lavoisier, 49045 Angers Cedex, France
Search for more papers by this authorDr. Narcis Avarvari
MOLTECH-Anjou, UMR 6200, CNRS, UNIV Angers, 2 bd Lavoisier, 49045 Angers Cedex, France
Search for more papers by this authorCorresponding Author
Prof. Dr. Melanie Schnell
Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany
Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth-Straße 1, 24118 Kiel, Germany
Search for more papers by this authorGraphical Abstract
Hydrating chiral arenes: The structures of singly and doubly hydrated [4]helicene were captured in the gas phase using high-resolution microwave spectroscopy. A trend in the preferred docking site is observed and interpreted in terms of the hierarchy of intermolecular interactions.
Abstract
We report on the one- and two-water clusters of [4]helicene, the smallest polycyclic aromatic hydrocarbon with a helical sense, which were captured in the gas phase using high-resolution rotational spectroscopy. The structures of the complexes are unambiguously revealed using microwave spectra of isotopically enriched species. In the one-water cluster, the apparent splitting pattern is consistent with a tunneling motion that encompasses an exchange of strongly and weakly bonded water hydrogens. This motion is “locked” in the two-water cluster. The relevant intermolecular contacts, symmetry, and aromaticity effects are unveiled for the microsolvated chiral topologies. These observations entail the first glance at the structures and internal dynamics of the water binding motifs of a chiral polycyclic aromatic hydrocarbon.
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