An experimental and theoretical study of adsorption of aromatic alcohols and amines on graphitized thermal carbon black

  • V. V. Varfolomeeva
  • A. V. Terent’ev
Separation Processes at the Interfaces. Chromatography


The Henry constants have been calculated for nonrigid molecules of benzyl alcohol, 1-phenylethanol, benzylamine, and 1-phenylethylamine on graphitized thermal carbon black (GTCB). It has been shown that remarkable changes in geometry for stable conformers in the adsorbed state depend on the height of the barrier to internal rotation around the labile bond and the presence of an intermolecular hydrogen bond. The parameters of atom-atom potential (AAP) characterizing the intermolecular hydrogen bond of the OH-group with π-electrons of GTCB with the assumption of direction have been determined. The experimental values of the Henry constant have been compared with the results of a molecular statistical calculation for the aromatic alcohols and amines being studied on GTCB.


Force Field Torsion Angle Intermolecular Hydrogen Bond Benzylamine Stable Conformer 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    Im, H.-S., Bernstein, E.R., Secor, H.V., and Seeman, J.I., J. Am. Chem. Soc., 1991, vol. 113, p. 4422.CrossRefGoogle Scholar
  2. 2.
    Le Barbu, K., Lahmani, F., Mons, M., Broquier, M., and Zehnacker, A., Phys. Chem. Chem. Phys., 2001, vol. 3, p. 4684.CrossRefGoogle Scholar
  3. 3.
    Li, S., Bernstein, E.R., and Seeman, J.I., J. Phys. Chem., 1992, vol. 96, p. 8808.CrossRefGoogle Scholar
  4. 4.
    Kiselev, A.V., Mezhmolekulyarnye vzaimodeistviya v adsorbtsii i khromatografii (Intermolecular Interactions in Adsorption and Chromatography), Moscow: Vysshaya Shkola, 1986.Google Scholar
  5. 5.
    Avgul’, N.N., Kiselev, A.V., and Poshkus, D.P., Adsorbtsiya gazov i parov na odnorodnykh poverkhnostyakh (Gas and Vapor Adsorptin on Homogeneous Surfaces), Moscow: Khimiya, 1975.Google Scholar
  6. 6.
    Varfolomeeva, V.V. and Terent’ev, A.V., in Carbon Black: Production, Properties and Uses, Sanders, I.J., Peeten, T.L., Eds., New York: Nova Sci., 2011, p. 93.Google Scholar
  7. 7.
    Bobyleva, M.S., Dement’eva, L.A., Kiselev, A.V., and Kulikov, N.S., Dokl. Akad. Nauk SSSR, 1985, vol. 283, p. 1390.Google Scholar
  8. 8.
    Sipior, J., Teh, C.K., and Sulkes, M., J. Fluoresc., 1991, vol. 1, p. 41.CrossRefGoogle Scholar
  9. 9.
    Martinez, S.J., Alfano, J.C., and Levy, D.H., J. Mol. Spectrosc., 1993, vol. 158, p. 82.CrossRefGoogle Scholar
  10. 10.
    Kuznetsova, E.S. and Buryak, A.K., Colloids Surf., A, 2011, vol. 383, p. 73.CrossRefGoogle Scholar
  11. 11.
    Kuznetsova, E.S., Ul’yanov, A.V., Varfolomeeva, V.V., and Buryak, A.K., Russ. J. Phys. Chem. A, 2009, vol. 83, p. 537.CrossRefGoogle Scholar
  12. 12.
    Terent’ev, A.V., Varfolomeeva, V.V., and Buryak, A.K., Russ. J. Phys. Chem. A, 2009, vol. 83, p. 2331.CrossRefGoogle Scholar
  13. 13.
    Arunan, E., Desiraju, G.R., Klein, R.A., Sadlej, J., Scheiner, S., Alkorta, I., Clary, D.C., Crabtree, R.H., Dannenberg, J.J., Hobza, P., Kjaergaard, H.G., Legon, A.C., Mennucci, B., and Nesbitt, D.J., Pure Appl. Chem., 2011, vol. 83, p. 1619.Google Scholar
  14. 14.
    Traetterberg, M., Ostensen, H., and Ragnhild, S., Acta Chem. Scand., 1980, vol. 34, p. 449.CrossRefGoogle Scholar
  15. 15.
    Granovsky, A.A. Firefly, version 8.0.0.
  16. 16.
    Boys, S.F. and Bernardi, F., Mol. Phys., 1970, vol. 19, p. 553.CrossRefGoogle Scholar
  17. 17.
    McGuire, R.F., Momany, F.A., and Scheraga, H.A., J. Phys. Chem., 1979, vol. 76, p. 375.CrossRefGoogle Scholar
  18. 18.
    Polteva, V.I., Grokhlina, T.I., and Malenkov, G.G., J. Biomol. Struct. Dyn., 1984, vol. 2, p. 413.CrossRefGoogle Scholar
  19. 19.
    Tsirelson, V.G., Kvantovaya Khimiya. Molekuly, molekulyarnye sistemy i tverdye tela (Quantum Chemistry. Molecules, Molecular Systems, and Solids), Moscow: BINOM, 2010.Google Scholar
  20. 20.
    Faddeev, M.A., Elementarnaya obrabotka rezul’tatov eksperimenta. Uchebnoe posobie (Elementary Treatment of Experimental Results. Handbook), St. Petersburg: Lan’, 2008.Google Scholar
  21. 21.
    Kiselev, A.V., Polotnyuk, E.B., and Shcherbakova, K.D., Chromatographia, 1981, vol. 14, p. 478.CrossRefGoogle Scholar
  22. 22.
    Abraham, R.J. and Bakke, J.M., Tetrahedron, 1978, vol. 34, p. 2947.CrossRefGoogle Scholar

Copyright information

© Pleiades Publishing, Ltd. 2014

Authors and Affiliations

  1. 1.Korolev Samara State Aerospace UniversitySamaraRussia

Personalised recommendations