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Electrostatics at the Origin of the Stability of Phosphate‐Phosphate Complexes Locked by Hydrogen Bonds
Author(s) -
Mata Ignasi,
Alkorta Ibon,
Molins Elies,
Espinosa Enrique
Publication year - 2012
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201200068
Subject(s) - hydrogen bond , dissociation (chemistry) , chemistry , electrostatics , ion , hydrogen , ab initio quantum chemistry methods , chemical physics , phosphate , ab initio , static electricity , computational chemistry , low barrier hydrogen bond , bond dissociation energy , crystallography , inorganic chemistry , molecule , organic chemistry , electrical engineering , engineering
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 (see picture). The stability of the complexes can be explained in terms of the electrostatic interaction in the hydrogen‐bond region.