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Title

Electrostatics at the origin of the stability of phosphate-phosphate complexes locked by hydrogen bonds

AuthorsMata, Ignasi ; Alkorta, Ibon ; Molins, Elies ; Espinosa, Enrique
Issue Date2012
PublisherJohn Wiley & Sons
CitationChemphyschem : a European journal of chemical physics and physical chemistry 13: 1421- 1424 (2012)
AbstractStronger than you'd think: Ab initio calculations reveal that hydrogen bonds can lock phosphates into stable gas-phase complexes, showing that hydrogen bonding can overcome anion-anion repulsion. These complexes present a large energetic barrier of dissociation (see picture). The stability of the complexes can be explained in terms of the electrostatic interaction in the hydrogen-bond region. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
URIhttp://hdl.handle.net/10261/80777
DOI10.1002/cphc.201200068
Identifiersdoi: 10.1002/cphc.201200068
issn: 1439-4235
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