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Structure and Regularities of Formation of H-Bonded Complexes in Aqueous and Nonaqueous Binary Solutions

  • STRUCTURE AND THERMODYNAMICS OF WATER AND AQUEOUS SOLUTIONS WITH HYDROGEN BONDS
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Abstract

Results of investigations carried out by the oscillation spectroscopy and quantum chemistry methods (B3LYP/6-31++G(d,p)) to study composition, structure, formation energy, and relative stability of hydrogen-bonded molecular complexes occurring in some aqueous and nonaqueous binary solutions are summarized and analyzed. Common complex formation regularities are established for these solutions.

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Notes

  1. This parameter was estimated by taking the frequency interval Δ, into which all analyzed vibration bands fall, as 100%, expressing in percent the distances (νj – νi) between all neighbor pairs of bands, and calculating the average deviation of the calculated (νj – νi)/Δ from the experimental ones.

  2. By “free” are meant all Solv and HF molecules that occur in the solution but are not part of an HA, irrespective of what intermolecular interactions they participate in.

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Funding

The work concerning the establishment of the regularities of complex formation in binary solutions was done within the State Assignment for the Institute of General and Inorganic Chemistry. The work concerning the recording and analysis of IR spectra was performed within the framework of the Program of Fundamental Research of the Russian Academy of Sciences for 2013–2020, topic no. 46.13 0082-2014-0007. The state registration number of the Center of Information Technologies and Systems for Executive Power Authorities (CITIS) is AAAA-A18-118020890105-3.

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Authors and Affiliations

  1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991, Moscow, Russia

    E. G. Tarakanova & G. V. Yukhnevich

  2. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 119991, Moscow, Russia

    I. S. Kislina & V. D. Maiorov

Authors
  1. E. G. Tarakanova
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  2. G. V. Yukhnevich
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  3. I. S. Kislina
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  4. V. D. Maiorov
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Correspondence to E. G. Tarakanova.

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Translated by M. Potapov

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Tarakanova, E.G., Yukhnevich, G.V., Kislina, I.S. et al. Structure and Regularities of Formation of H-Bonded Complexes in Aqueous and Nonaqueous Binary Solutions. Phys. Wave Phen. 28, 168–175 (2020). https://doi.org/10.3103/S1541308X2002017X

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  • DOI: https://doi.org/10.3103/S1541308X2002017X

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