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Where's water? The many binding sites of hydantoin

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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.

Graphical abstract: Where's water? The many binding sites of hydantoin

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Publication details

The article was received on 22 Sep 2017, accepted on 22 Nov 2017 and first published on 28 Nov 2017


Article type: Paper
DOI: 10.1039/C7CP06518C
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
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    Where's water? The many binding sites of hydantoin

    S. Gruet, C. Pérez, A. L. Steber and M. Schnell, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C7CP06518C

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