Structural Inhomogeneity in Electrolyte Solutions: The Calcium Perchlorate–Water System

Olga N. Pestova, Andrey Yu Efimov, Lyubov A. Myund, Andrei G. Kudrev, Vasiliy D. Khripun, Anna G. Davidian, Valeria E. Baranauskaite

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


A new approach has been proposed to study the structure of aqueous electrolyte solutions. NIR, Raman and attenuated total reflectance, Fourier transform infra-red (ATR FTIR) spectra have been measured for aqueous calcium perchlorate solutions in the 0.22–4.3 mol·L−1 (0.22–7.46 mol·kg−1) concentration range at 25 °C. By the methods of principal component analysis (PCA) and multivariate curve resolution—alternating least squares (MCR-ALS) the number, spectra and concentration profiles have been determined for spectroscopically distinguishable forms of water and ClO4 ion in solutions. The results have been analyzed using a phenomenological model, establishing thereby: concentration ranges for structural rearrangements of the solution, the nature of structural microirregularities and different states of the ClO4 ion in the areas of domination of the natural water structure, and of cybotactic groups of calcium perchlorate hexa and tetra hydrates.

Original languageEnglish
Pages (from-to)1854-1870
Number of pages17
JournalJournal of Solution Chemistry
Issue number9-10
StatePublished - 1 Oct 2017
Externally publishedYes


  • Aqueous solutions
  • Calcium perchlorate
  • Multivariate curve resolution–alternating least squares
  • NIR and ATR FTIR spectra
  • Principal component analysis
  • Raman spectra

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Molecular Biology
  • Physical and Theoretical Chemistry


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