• Corpus ID: 237490843

Nuclear spin relaxation in aqueous paramagnetic ion solutions

  title={Nuclear spin relaxation in aqueous paramagnetic ion solutions},
  author={David A. Faux and Ors Ist'ok and Arifah A. Rahaman and P. J. McDonald and Eoin P. McKiernan and Dermot F. Brougham},
An angular time-dependent probability density function describing Brownian or anomalous rotational dynamics of fixed-length atom-to-atom vectors is presented. The probability density function, which fully incorporates angular boundary conditions, is applied to aqueous ion complexes. The rotational dynamics of ion-1H vectors are shown by molecular dynamics (MD) simulation to be Brownian. A Brownian shell model is presented which yields a closed form expression for the frequency-dependent nuclear… 


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  • 2020