Where's water? The many binding sites of hydantoin

Gruet, Sébastien; Pérez, C.; Steber, A. L.; Schnell, M.

doi:10.1039/c7cp06518c

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Where's water? The many binding sites of hydantoin

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Gruet, Sébastien
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronensychrotron;
Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel;

/persons/resource/persons188136

Pérez, C.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronensychrotron;
Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel;

/persons/resource/persons188134

Steber, A. L.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronensychrotron;
Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel;

/persons/resource/persons22077

Schnell, M.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronensychrotron;
Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel;

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Citation

Gruet, S., Pérez, C., Steber, A. L., & Schnell, M. (2018). Where's water? The many binding sites of hydantoin. Physical Chemistry Chemical Physics, 20(8), 5545-5552. doi:10.1039/c7cp06518c.

Cite as: https://hdl.handle.net/21.11116/0000-0001-F5FE-D

Abstract

Prebiotic hydantoin and its complexes with one and two water molecules are investigated using high-resolution broadband rotational spectroscopy in the 2–8 GHz frequency range. The hyperfine structure due to the nuclear quadrupole coupling of the two 14N atoms is analysed for the monomer and the complexes. This characteristic hyperfine structure will support a definitive assignment from low frequency radioastronomy data. Experiments with H218O provide accurate experimental information on the preferred binding sites of water, which are compared with quantum-chemically calculated coordinates. In the 2-water complexes, the water molecules bind to hydantoin as a dimer instead of individually, indicating the strong water–water interactions. This information provides first insight on how hydantoin interacts with water on the molecular level.