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Synthesis and FTIR Spectroscopy of Fluorinated Oligosilanes

Synthesis and FTIR Spectroscopy of Fluorinated Oligosilanes

Karl Hassler (ORCID: )
  • Grant DOI 10.55776/P17435
  • Funding program Principal Investigator Projects
  • Status ended
  • Start October 4, 2004
  • End October 4, 2007
  • Funding amount € 152,324
  • Project website

Disciplines

Chemistry (66%); Physics, Astronomy (34%)

Keywords

    Fluorinated Oligosilanes, Ab Initio Calculations, FTIR spectroscopy, Ratational Isomerism

Abstract Final report

The project envisages the synthesis of novel fluorinated disilanes and trisilanes such as F2HSiSiHF2, FH2SiSiH2F, F2HSiSiH2F, FH2SiSiH2SiH2F or HF2SiSiF2SiF2H and of fluorinated carbosilanes such as CH2XSiF2H, CH2XSiH2F, CHX2SiF2H, CHX2SiH2F (X = F, Cl, Br, I) oder CH2FSiH2CH2F and the investigation of the preferred conformations of these molecules by Fourier Transform Infrared spectroscopy. These species represent mixtures of conformers, whose concentration ratio varies with temperature. Recording the spectra at different temperatures therefore allows the identification of bands belonging to individual conformers. From relative intensities of bands, energy differences between conformers will be obtained. The experimental results will be complemented by ab initio calculations of equilibrium geometries and vibrational frequencies.

The project envisages the synthesis of novel fluorinated disilanes and trisilanes such as F2HSiSiHF2, FH2SiSiH2F, F2HSiSiH2F, FH2SiSiH2SiH2F or HF2SiSiF2SiF2H and of fluorinated carbosilanes such as CH2XSiF2H, CH2XSiH2F, CHX2SiF2H, CHX2SiH2F (X = F, Cl, Br, I) oder CH2FSiH2CH2F and the investigation of the preferred conformations of these molecules by Fourier Transform Infrared spectroscopy. These species represent mixtures of conformers, whose concentration ratio varies with temperature. Recording the spectra at different temperatures therefore allows the identification of bands belonging to individual conformers. From relative intensities of bands, energy differences between conformers will be obtained. The experimental results will be complemented by ab initio calculations of equilibrium geometries and vibrational frequencies.

Research institution(s)
  • Technische Universität Graz - 100%

Research Output

  • 89 Citations
  • 5 Publications
Publications
  • 2008
    Title Molecular Structures of the Digermanes Me2XGeGeXMe2 (X = Me, Cl, and H): An Ab Initio Study Combined with Experimental Investigation by Raman Spectroscopy and Gas Electron Diffraction
    DOI 10.1021/ic7018764
    Type Journal Article
    Author Hölbling M
    Journal Inorganic Chemistry
    Pages 3023-3033
  • 2008
    Title In situ scanning tunnelling microscopy investigations of Si epitaxial growth on pit-patterned Si (001) substrates
    DOI 10.1016/j.tsf.2008.08.120
    Type Journal Article
    Author Sanduijav B
    Journal Thin Solid Films
    Pages 293-296
  • 2007
    Title Ge6Me12 and Ge6H12 Cyclohexagermanes: Conformer Equilibria Studied by Raman Spectroscopy and Quantum Chemical Calculations
    DOI 10.1002/ejic.200700577
    Type Journal Article
    Author Hölbling M
    Journal European Journal of Inorganic Chemistry
    Pages 4952-4957
  • 2007
    Title The Cyclohexasilanes Si6H11X and Si6Me11X with X=F, Cl, Br and I: A Quantum Chemical and Raman Spectroscopic Investigation of a Multiple Conformer Problem
    DOI 10.1002/cphc.200600731
    Type Journal Article
    Author Hölbling M
    Journal ChemPhysChem
    Pages 735-744
  • 2007
    Title Conformational Properties of 1-Fluoro-1-silacyclohexane, C5H10SiHF: Gas Electron Diffraction, Low-Temperature NMR, Temperature-Dependent Raman Spectroscopy, and Quantum Chemical Calculations
    DOI 10.1021/om7008414
    Type Journal Article
    Author Bodi A
    Journal Organometallics
    Pages 6544-6550

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