Photoelectron spectra of polysilanes. Conformational analyses of tetra-and penta-silane
- 1 January 1975
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 71, 913-920
- https://doi.org/10.1039/f29757100913
Abstract
The p.e. spectra of polysilanes SinH2n+2(n= 2,3,4,5) are presented. Whereas assignment is uncomplicated for n= 2 or 3, p.e. spectroscopic conformational analyses are necessary for tetra- and penta-silane. Their p.e. spectra can be simulated by CNDO eigenvalues (ε) if various rotamers are taken into account. For this procedure the relation Δεi,j≈Δ(ionisation energy)i,j must hold. Comparison of experimental and simulated spectra allows determination of the ratios of rotamers of Si4H10 and Si5H12 present under the p.e. spectroscopic conditions.Keywords
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