Synthesis and FTIR Spectroscopy of Fluorinated Oligosilanes
Synthesis and FTIR Spectroscopy of Fluorinated Oligosilanes
Disciplines
Chemistry (66%); Physics, Astronomy (34%)
Keywords
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Fluorinated Oligosilanes,
Ab Initio Calculations,
FTIR spectroscopy,
Ratational Isomerism
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.
- Technische Universität Graz - 100%
Research Output
- 89 Citations
- 5 Publications
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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