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Monatshefte für Chemie - Chemical Monthly

, Volume 105, Issue 4, pp 815–821 | Cite as

SemiempirischeMO-Berechnungen an Silicium—Fluor-Verbindungen und ihren Hydrolyseprodukten

  • K. Kleboth
  • B. M. Rode
Anorganische, Struktur- und Physikalische Chemie

Semiempirical MO-calculations on fluoro- and fluorohydroxo-compounds of silicon

Abstract

The series of monomeric silicon compounds containing F and/or OH have been calculated using theCNDO/2 method. The energy values obtained prove useful for qualitative discussion of reactions involving the compounds investigated.CNDO/2-valence force constants have been calculated by two different methods. The absolute values are too high compared with experimental values for these compounds, but their relative order is reflected correctly. Some predictions have been made concerning the spectroscopic data to be expected for the hydrolysis products, which have not yet been studied experimentally.

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Copyright information

© Springer-Verlag 1974

Authors and Affiliations

  • K. Kleboth
    • 1
  • B. M. Rode
    • 1
  1. 1.Institut für Anorganische und Analytische Chemie Universität InnsbruckInnsbruckÖsterreich

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