Journal
EUROPEAN JOURNAL OF MASS SPECTROMETRY
Volume 18, Issue 2, Pages 215-222Publisher
SAGE PUBLICATIONS LTD
DOI: 10.1255/ejms.1172
Keywords
mass spectrometry; atmospheric chemistry; heavy water; proton transfer; ion conductivity; pyridine; bisulphate
Funding
- Swedish Research Council
- Norwegian Research Council [179568N30]
- Nanoparticle in Interactive Environments platform at the Faculty of Science at University of Gothenburg
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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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