INS and IR Studies of Intermolecular Interaction at the Silicone-Fumed Silica Interface. 3. Adsorption Complexes

Physics of Low-Dimensional Structures

Volumn 2000, Issue 9-10, 2000, Pages 25-50

  Sheka, E ^a   Barthel, H ^b   Khavryutchenko, V ^c,d   Natkaniec, I ^c,e   Nikitina, E ^f   Weis, J ^b  

^a PEOPLES FRIENDSHIP UNIVERSITY OF RUSSIA   (Russian Federation)

^b WACKER CHEMIE AG   (Germany)

^c JOINT INSTITUTE FOR NUCLEAR RESEARCH   (Russian Federation)

^d INSTITUTE OF SURFACE CHEMISTRY   (Ukraine)

^e INSTITUTE OF NUCLEAR PHYSICS   (Poland)

^f INSTITUTE OF APPLIED MECHANICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347014063     PISSN: 02043467     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (25)

1. E. Sheka, H. Barthel, V. Khavryutchenko, I. Natkaniec, E. Nikitina, J. Weis, Part 1, Surf. Sci., in press.
2. E. Sheka, H. Barthel, V. Khavryutchenko, I. Natkaniec, E. Nikitina, J. Weis, Part 2, Surf. Sci., in press.
3. I. Natkaniec, S.I. Bragin, J. Brankowski, J. Mayer, in Proceedings of the ICANS XII Meeting, Abingdon 1993, RAL Report 94-025, Vol. I., p. 89-96 (1994).
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5. I.I. Gurevich, L.V. Tarasov, Fisika Neitronov Nizkikh Energii, (The Physics of Low-Energy Neutrons), Moscow: Nauka, 1965.
6. P.R. Griffiths, J.A. de Haseth, Fourier Transform Infrared Spectrometry, John Wiley and Sons, New York, 1986.
7. E.A. Nikitina, V.D. Khavryutchenko, E.F. Sheka, H. Barthel, J. Weis, Surf. Rev. Lett., 4 (1997) 879.
8. E. Nikitina, V. Khavryutchenko, E. Sheka, H. Barthel, J. Weis, Composite Interfaces, 6 (1999) 3.
9. E.A. Nikitina, E.F. Sheka, V.D. Khavryutchenko, H. Barthel, to be published.
10. H. Barthel, L. Rosch, J. Weis, A. Khalfi, H. Balard, E. Papirer, Composite Interfaces, 6 (1999) 27.
11. It is shown [1] that the Si5 liquid forms two solid phases when solidifying. The Si5-1 solid is well ordered crystalline-like while the Si5-2 one is fully amorphous.
12. Only the spectrum related to θ = 0.2 falls out somewhat from a common tendency. This should be attributed to bigger experimental errors that is characteristic of low intensive spectra.
13. Our extended QCh calculations of a series of silicone oligomers have shown a high conformational lability of the molecules with a large number of different conformers which are very close in the heat of formation.
14. V.D. Khavryutchenko, E.A. Nikitina, E.F. Sheka, H. Barthel, J. Weis, Phys. Low-Dim. Struct., 5/6 (1998) 1.
15. V.D. Khavryutchenko, E.A. Nikitina, E.F. Sheka, H. Barthel, J. Weis, Phys. Low-Dim. Struct., 9/10 (1999) 1.
16. With respect to silica and silica-like species, the identical AM1 and PM3 techniques, distinguished by parameters only, provide a unique opportunity to simulate two equilibrated configurations of siloxane chains which differ in the value of the Si-O-Si angles. Thus, the AM1 method well maintains the average angle value ranging between 170° to 180° so that the related siloxane chain can be called straightened, while the values ranging between 135° and 160° are typical of the PM3 techniques which leads to bent siloxane chains. Both configurations are known in silicates [17]. These seem to be possibly met in silicone oligomers as well due to small difference in the relevant heat of formation as follows from the QCh study [18].
17. F. Liebau, Structural Chemistry of Silicates, Springer-Verlag: Heidelberg, New York, Paris, Tokyo, etc., 1985..
18. E.A. Nikitina, private communication.
19. K.U. Kirst, F. Kremer, V.M. Litvinov, Macromolecules, 26 (1993) 975.
20. V.M. Litvinov. Polymer. Sci. USSR, 30 (1993) 2250.
21. V.M. Litvinov, H.W. Spiess, Macromol. Chem., 193 (1992) 1181.
22. V.D. Khavryutchenko, COSPECO Computational Vibrational Spectroscopy Software, Institute of Surface Chemistry, Nat.Acad.Sci. of Ukraine, Kiev (1993).
23. L.A. Gribov, V.A. Dementjev, Methods and Algorithms of Calculations in the Theory of Molecular Vibrational Spectra, (in Russian) Nauka, Moscow, 1981.
24. V.D. Khavryutchenko, E.F. Sheka, Phys. Low-Dim. Struct., 4/5 (1995) 99.
25. A detailed description of the inverse spectral problem solution is given elsewhere [1].