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  Where's water? The many binding sites of hydantoin

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.

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c7cp06518c.pdf (Publisher version), 3MB
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https://dx.doi.org/10.1039/c7cp06518c (Publisher version)
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 Creators:
Gruet, Sébastien1, 2, 3, Author           
Pérez, C.1, 2, 3, Author           
Steber, A. L.1, 2, 3, Author           
Schnell, M.1, 2, 3, Author           
Affiliations:
1Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938292              
2Deutsches Elektronensychrotron, ou_persistent22              
3Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, ou_persistent22              

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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.

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Language(s): eng - English
 Dates: 2017-09-222017-11-222018-02-28
 Publication Status: Issued
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/c7cp06518c
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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: - Volume / Issue: 20 (8) Sequence Number: - Start / End Page: 5545 - 5552 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1