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Calculating the Gibbs Energies of Solvation of 2,2'-Dipyridyl in Nonaqueous Solvents

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Abstract

The Gibbs energies of solvation of 2,2'-dipyridyl (2,2'-Dipy) in methanol (MeOH), acetonitrile (AN), dimethylsulfoxide (DMSO), and N,N-dimethylformamide (DMF) are calculated via quantum chemical modeling. Estimates are made for the contributions from universal and specific types of interaction between the molecules of 2,2'-Dipy and the solvent to the change in the Gibbs energies of solvation of the amine when MeOH is replaced with AN, DMSO, and DMF.

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REFERENCES

  1. G. A. Krestov and B. D. Berezin, Basic Principles of Modern Chemistry (Khimiya, Leningrad, 1986) [in Russian].

    Google Scholar 

  2. E. N. Medvedeva, N. A. Rybal’chenko, V. A. Babkin, and P. M. Farkov, Khim. Rast. Syr’ya, No. 2, 17 (2000).

    Google Scholar 

  3. E. N. Ushakov, M. V. Alfimov, and S. P. Gromov, Nanotechnol. Russ. 3, 35 (2008).

    Google Scholar 

  4. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 03, Revision B.03 (Gaussian Inc., Pittsburgh, PA, 2003).

  5. A. D. Becke, Phys. Rev. A 38, 3098 (1988).

    Article  CAS  Google Scholar 

  6. P. J. Stephens, F. J. Devlin, C. F. Chablowski, et al., J. Chem. Phys. 98, 11623 (1994).

    Article  CAS  Google Scholar 

  7. R. H. Hertwig and W. Koch, J. Chem. Phys. Lett. 268, 345 (1997).

    Article  CAS  Google Scholar 

  8. W. J. Hehre, K. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972).

    Article  CAS  Google Scholar 

  9. J. D. Dill and J. A. Pople, J. Chem. Phys. 62, 2921 (1975).

    Article  CAS  Google Scholar 

  10. P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).

    Article  CAS  Google Scholar 

  11. J. B. Foresman, T. A. Keith, K. B. Wiberg, et al., J. Chem. Phys. 100, 16098 (1996).

    Article  CAS  Google Scholar 

  12. G. A. Zhurko and D. A. Zhurko, ChemCraft, Version 1.6 (build 312). http://www.chemcraftprog.com/index.html.

  13. I. M. Semenov, G. I. Repkin, V. A. Isaeva, and V. A. Sharnin, Russ. J. Phys. Chem. A 88, 2060 (2014).

    Article  CAS  Google Scholar 

  14. G. V. Moshorin, G. I. Repkin, and V. A. Sharnin, Russ. J. Phys. Chem. A 84, 538 (2010).

    Article  CAS  Google Scholar 

  15. I. M. Smallwood, Handbook of Organic Solvent Properties (Elsevier, Amsterdam, 2012).

    Google Scholar 

  16. Yu. A. Fialkov, Not Only in Water (Khimiya, Leningrad, 1989) [in Russian].

    Google Scholar 

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Authors and Affiliations

  1. Ivanovo State University of Chemistry and Technology, 153000, Ivanovo, Russia

    I. A. Kuz’mina, M. A. Volkova, K. I. Kuz’mina, N. V. Belova & V. A. Sharnin

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  1. I. A. Kuz’mina
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  2. M. A. Volkova
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  3. K. I. Kuz’mina
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  4. N. V. Belova
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  5. V. A. Sharnin
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Corresponding author

Correspondence to M. A. Volkova.

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Translated by E. Boltukhina

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Kuz’mina, I.A., Volkova, M.A., Kuz’mina, K.I. et al. Calculating the Gibbs Energies of Solvation of 2,2'-Dipyridyl in Nonaqueous Solvents. Russ. J. Phys. Chem. 93, 1206–1208 (2019). https://doi.org/10.1134/S0036024419060165

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  • DOI: https://doi.org/10.1134/S0036024419060165

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