Displacement of the proton in hydrogen-bonded complexes of hydrogen fluoride by beryllium and magnesium ions

Journal Article · Thu May 14 00:00:00 EDT 2009 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3134762· OSTI ID:21559716

McDowell, Sean A. C. ^[1]

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1. Department of Biological and Chemical Sciences, University of the West Indies, Cave Hill Campus (Barbados)

The displacement of the proton by a beryllium ion and by a magnesium ion from hydrogen-bonded complexes of hydrogen fluoride, of varying hydrogen bond strengths, was investigated theoretically using ab initio methods. Stable metal-containing species were obtained from all of the hydrogen-bonded complexes regardless of the strength of the hydrogen bond. It was found that the beryllium ion was energetically very effective in displacing the proton from hydrogen bonds, whereas the magnesium ion was unable to do so. The high stability of the beryllium-containing complexes is mainly due to the strong electrostatic bonding between the beryllium and fluoride atoms. This work supports the recent finding from a multidisciplinary bioinorganic study that beryllium displaces the proton in many strong hydrogen bonds.

• OSTI ID: 21559716
• Journal Information: Journal of Chemical Physics, Vol. 130, Issue 18; Other Information: DOI: 10.1063/1.3134762; (c) 2009 American Institute of Physics; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
ATOMS
BERYLLIUM
BERYLLIUM IONS
BONDING
CATIONS
COMPLEXES
FLUORIDES
HYDROFLUORIC ACID
HYDROGEN
ION-MOLECULE COLLISIONS
MAGNESIUM
MAGNESIUM IONS
PROTONS
STABILITY
ALKALINE EARTH METALS
BARYONS
CHARGED PARTICLES
COLLISIONS
ELEMENTARY PARTICLES
ELEMENTS
FABRICATION
FERMIONS
FLUORINE COMPOUNDS
HADRONS
HALIDES
HALOGEN COMPOUNDS
HYDROGEN COMPOUNDS
INORGANIC ACIDS
INORGANIC COMPOUNDS
ION COLLISIONS
IONS
JOINING
METALS
MOLECULE COLLISIONS
NONMETALS
NUCLEONS