DOI

  • Adrian A. Hernandez Santiago
  • Anatoly S. Buchelnikov
  • Maria A. Rubinson
  • Semen O. Yesylevskyy
  • John A. Parkinson
  • Maxim P. Evstigneev

NMR diffusometry has been gaining wide popularity in various areas of applied chemistry for investigating diffusion and complexation processes in solid and aqueous phases. To date, the application of this method to study aggregation phenomena proceeding beyond the dimer stage of assembly has been restricted by the need for a priori knowledge of the aggregates' shape, commonly difficult to know in practice. We describe here a comprehensive analysis of aggregation parameter-dependency on the type and shape selected for modeling assembly processes, and report for the first time a shape-independent model (designated the SHIM approach), which may be used as an alternative in cases when information on aggregates' shapes is unavailable. The model can be used for determining equilibrium aggregation parameters from self-diffusion NMR data including equilibrium self-association constant and changes in enthalpy, ΔH, and entropy, ΔS.

Язык оригиналаанглийский
Номер статьи104202
ЖурналJournal of Chemical Physics
Том142
Номер выпуска10
DOI
СостояниеОпубликовано - 14 мар 2015
Опубликовано для внешнего пользованияДа

    Предметные области Scopus

  • Физика и астрономия (все)
  • Физическая и теоретическая химия

ID: 10241366