Hyperfine Interactions

, Volume 158, Issue 1–4, pp 105–110 | Cite as

Peculiarities of Quadrupolar Relaxation in Electrolyte Solutions

  • Maria Pavlova
  • Vladimir Chizhik
Theory Hyperfine Interactions


Peculiarities of quadrupolar relaxation in electrolyte solutions were established via comparison of the data obtained from proton and deuteron resonances. It has been shown that quadrupole coupling constants (QCC) of deuterons depend not only on internal electron structure of molecule or ion, but on solution structure as well. To interpret the experimental results quantum-chemical calculations of QCC of deuterons in different molecular complexes simulating different solution substructures were carried out. Density functional theory (DFT) method with hybrid B3LYP functional was used for all calculations.

Key Words

electrolyte solutions quadrupolar relaxation quadrupole coupling constant water clusters 


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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  1. 1.Saint-Petersburg State UniversitySt. PetersburgRussia

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