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Current issue   Ukr. J. Phys. 2016, Vol. 61, N 6, p.478-481
http://dx.doi.org/10.15407/ujpe61.06.0478    Paper

Chernolevska Ye., Pogorelov V., Vaskivskyi Ye., Doroshenko I.

Taras Shevchenko National University of Kyiv
(64/13, Volodymyrs’ka Str., Kyiv, Ukraine)

Temperature-Induced Evolution of a Cluster Structure in n-nonan-1-ol: Experimental Study and Quantum-Chemistry Calculations

Section: Atoms and Molecules
Original Author's Text: English

Abstract: It is well known that alcohols belong to the class of partly ordered liquids, which can form aggregates or clusters with different numbers of molecules. The object of our investigation is n-nonan-1-ol. The experimentally obtained temperature-induced evolution of n-nonan-1-ol in the temperature range from –20 to 0C is analyzed. Experimental results are compared with the results of the quantum-chemistry computer simulation. It is shown that, at the liquid-solid phase transition, one can observe a change of the cluster structure from smaller to bigger associates.

Key words: cluster structure, n-nonan-1-ol.

References:

  1. 1. M.A. Suhm, Adv. Chem. Phys. 142, 1 (2010).   CrossRef
  2. R.A. Provencal et al., J. of Chem. Phys. 110, 4258 (1999).   CrossRef
  3. U. Buck and F. Huisken, Chem. Rev. 100, 3863 (2000).   CrossRef   PubMed
  4. F.H. Tukhvatullin et al., J. of Mol. Struct. 881, 52 (2008).   CrossRef
  5. V. Pogorelov, I. Doroshenko, P. Uvdal, V. Balevicius, and V. Sablinskas, Mol. Phys. 108, 2165 (2010).   CrossRef
  6. S.L. Boyd and R.J. Boyd, J. Chem. Theory Comput. 3, 54 (2007).   CrossRef   PubMed
  7. V. Pogorelov, L. Bulavin, I. Doroshenko, O. Fesjun, and O. Veretennikov, J. of Mol. Struct. 708, 61 (2004).   CrossRef
  8. I.Yu. Doroshenko, O.I. Lizengevych, V.E. Pogorelov, and L.I. Savransky, Ukr. J. Phys. 49, 540 (2004).
  9. I. Doroshenko, V. Pogorelov, V. Sablinskas, and V. Balevicius, J. Mol. Liq. 157, 142 (2010).   CrossRef
  10. I.Yu. Doroshenko, Low Temp. Phys. 37, 604 (2011).   CrossRef