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Proton mobility in water clusters

Journal article
Authors Mauritz Johan Ryding
Patrik U Andersson
A. S. Zatula
E. Uggerud
Published in European Journal of Mass Spectrometry
Volume 18
Issue 2
Pages 215-222
ISSN 1469-0667
Publication year 2012
Published at Department of Chemistry and Molecular Biology
Pages 215-222
Language en
Keywords mass spectrometry, atmospheric chemistry, heavy water, proton transfer, ion conductivity, pyridine, tropospheric ions, mass-spectrometry, continental air, exchange, pyridine, identification, chemistry, d2o, dissociation, solvation, nner dj, 1991, journal of geophysical research-atmospheres, v96, p1023
Subject categories Chemical Sciences


Proton mobility in water occurs quickly according to the so-called Grotthuss mechanism. This process and its elementary reaction steps can be studied in great detail by applying suitable mass spectrometric methods to ionic water clusters. Careful choice of suitable core ions in combination with analysis of cluster size trends in hydrogen/deuterium isotope exchange rates allows for detailed insights into fascinating dynamic systems. Analysis of the experiments has been promoted by extensive and systematic quantum chemical model calculations. Detailed low-energy mechanistic pathways for efficient water rearrangement and proton transfer steps, in particular cases along short preformed "wires" of hydrogen bonds, have been identified in consistency with experimental findings.

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