title: Electrostatics at the origin of the stability of phosphate-phosphate complexes locked by hydrogen bonds.
abstract: Stronger 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. The stability of the complexes can be explained in terms of the electrostatic interaction in the hydrogen-bond region.
authors.affiliation: Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, Bellaterra, Spain.
authors.forename: Ignasi
authors.initials: I
authors.lastname: Mata
authors.forename: Ibon
authors.initials: I
authors.lastname: Alkorta
authors.forename: Elies
authors.initials: E
authors.lastname: Molins
authors.forename: Enrique
authors.initials: E
authors.lastname: Espinosa
mesh_terms: D004355:Drug Stability; D005740:Gases / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D010756:Phosphoric Acids / Q000737:chemistry*; D011789:Quantum Theory; D055672:Static Electricity
chemical_list: D005740:Gases; D010756:Phosphoric Acids; D006859:Hydrogen; C030242:phosphoric acid