Where's water? The many binding sites of hydantoin.

Phys Chem Chem Phys

Deutsches Elektronensychrotron, Notkestrasse 85, D-22607 Hamburg, Germany.

Published: February 2018

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 N 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 HO 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.

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http://dx.doi.org/10.1039/c7cp06518cDOI Listing

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