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INS and IR study of intermolecular interactions at the fumed silica-polydimethylsiloxane interphase, Part I. Polydimethylsiloxane models

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Silicon Chemistry

Abstract

A vibration spectra study of the interphase of fumed silica andpolydimethylsiloxane (PDMS) particles highlights the microscopic interactionmechamisms in the system. This study in general involves an extendedexamination of free silica and PDMS components as well as their absorptioncomplexes. Part 1, the present paper, deals with vibration analysis of freePDMS oligomer molecules. The results provide a basis for assignment ofvibration frequencies not only for PDMS polymers but also for silica andsilica-PDMS adsorption complexes and give the reference spectra of species atthe fumed silica-PDMS interphase. Vibrations have been investigated involvingboth experimental and computational approaches. Experiments were performed inthe framework of infrared (FTIR) and inelastic neutron scattering (INS andAWDS) techniques. Spectra interpretation was carried out on the basis ofquantum chemical (QCh) semiempirical calculations using AM1 and PM3parameterisation and application of an original software for spectra analysisCOSPECO involving direct and inverse spectral problem solution and spectraassignment.

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Authors and Affiliations

  1. Wacker-Chemie GmBH, Werk Burghausen, D-84480, Burghausen, Germany

    H. Barthel

  2. Institute of Applied Mechanics, Russian Academy of Sciences, 117334, Moscow, Russia

    E. Nikitina

Authors
  1. H. Barthel
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  2. E. Nikitina
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Barthel, H., Nikitina, E. INS and IR study of intermolecular interactions at the fumed silica-polydimethylsiloxane interphase, Part I. Polydimethylsiloxane models. Silicon Chemistry 1, 239–247 (2002). https://doi.org/10.1023/B:SILC.0000018351.78847.f7

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  • DOI: https://doi.org/10.1023/B:SILC.0000018351.78847.f7

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