Theoretical studies of model polysilanes and polygermanes

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Abstract

Both molecular mechanics (MM) and, more recently, molecular orbital (MO) approaches have revealed important information regarding the structural, electronic, and conformational properties of the polysilanes. In the present study, MO calculations have been carried out on model compounds for [-SiH2-] and the simplest poly(organosilane) [-Si(CH3)2-]. Also included are results applicable to the analogous [-Ge (CH3)2-] chain. The present study was undertaken to provide a computationally feasible yet rigorous tool for studying the structural, electronic, and conformational properties of the poly (organosilanes) and poly (organo-germanes).

Original languageEnglish (US)
Pages (from-to)232-233
Number of pages2
JournalAmerican Chemical Society, Polymer Preprints, Division of Polymer Chemistry
Volume31
Issue number2
StatePublished - Aug 1990
Externally publishedYes
EventPapers presented at the Washington, DC Meeting 1990 of the ACS, Division of Polymer Chemistry - Washington, DC, USA
Duration: Aug 26 1990Aug 31 1990

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Polymers and Plastics
  • Materials Science(all)

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