Where's water? The many binding sites of hydantoin

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.