Chapter 55. 29Si NMR Chemical Shifts of Four- and Five-Membered Organosilacycles: Experimental and Theoretical Studies

  1. Prof. Dr. Norbert Auner2 and
  2. Prof. Dr. Johann Weis3
  1. Katja Strohfeldt,
  2. Katrin Andres,
  3. Rüdiger Bertermann,
  4. Eric Wack,
  5. Martin Kaupp and
  6. Carsten Strohmann

Published Online: 5 MAY 2008

DOI: 10.1002/9783527619924.ch55

Organosilicon Chemistry V: From Molecules to Materials

Organosilicon Chemistry V: From Molecules to Materials

How to Cite

Strohfeldt, K., Andres, K., Bertermann, R., Wack, E., Kaupp, M. and Strohmann, C. (2003) 29Si NMR Chemical Shifts of Four- and Five-Membered Organosilacycles: Experimental and Theoretical Studies, in Organosilicon Chemistry V: From Molecules to Materials (eds N. Auner and J. Weis), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527619924.ch55

Editor Information

  1. 2

    Department of Inorganic Chemistry, University of Frankfurt, Marie-Curie-Straße 11, 60439 Frankfurt am Main, Germany

  2. 3

    Consortium of Electrochemical Industry GmbH, Zielstattstraße 20, 81379 Munich, Germany

Author Information

  1. Institut für Anorganische Chemie, Universität Würzburg Am Hubland, D-97074 Würzburg, Germany Tel.: +49 931 888 4613 — Fax: +49 931 888 4605

Publication History

  1. Published Online: 5 MAY 2008
  2. Published Print: 26 SEP 2003

ISBN Information

Print ISBN: 9783527306701

Online ISBN: 9783527619924

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Keywords:

  • silacycles;
  • crystal structure;
  • 29Si NMR;
  • quantum chemical calculations;
  • chemical shift

Summary

Experimental and theoretical 29Si NMR studies on cyclic and analogous acyclic organosilanes show that variation of the CR2-Si-CR2 bond angle results in opposite effects on the 29Si NMR shift for cyclic and acyclic systems. Therefore structural predictions for strained organosilanes, based on 29Si NMR data, remain a challenge. A direct correlation of the 29Si NMR shift and the CR2-Si-CR2 bond angle is only possible for related systems. Explanations for this reverse dependence of the 29Si chemical shifts on CR2-Si-CR2 bond angles in cyclic and acyclic systems can be obtained by detailed quantum chemical analyses of the shielding tensors.