Russian Chemical Bulletin

, Volume 61, Issue 2, pp 343–350 | Cite as

Ion aggregation of methylpyrazinium iodide and its derivatives in crystals and in solutions of nonpolar solvents

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Aggregation of methylpyrazinium iodide and its derivatives in chloroform and dichloromethane solutions was studied by EAS and 1H NMR spectroscopy. The isopentylpyrazinium iodide ion quadruple formation constants in solutions were evaluated. Formal extinction coefficient in the outer-sphere charge transfer band maxima does not depend on the degree of aggregation in the system. A model suggested for the formation of ion quadruples in solutions was discussed in terms of the density functional theory and using the X-ray diffraction data for crystalline methylpyrazinium iodides and its derivatives.

Key words

methylpyrazinium iodide ion aggregation ion pairs ion quadruples EAS 1H NMR density functional theory the B97D functional. 


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© Springer Science+Business Media New York 2012

Authors and Affiliations

  1. 1.A. N. Frumkin Institute of Physical Chemistry and ElectrochemistryRussian Academy of SciencesMoscowRussian Federation
  2. 2.Moscow City Teacher Training UniversityInstitute of Natural SciencesMoscowRussian Federation
  3. 3.A. N. Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussian Federation

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