Silicon

, Volume 7, Issue 4, pp 343–349 | Cite as

Computational Study of the Electronic Absorption Spectra of Polyhydrosilanes

  • L. Sacarescu
  • M. Fortuna
  • M. Soroceanu
  • C. Cojocaru
  • G. Sacarescu
  • M. Simionescu
  • V. Harabagiu
Original Paper
First Online:
Received:
Accepted:

Abstract

The UV absorption spectra of polyhydrosilanes are investigated with the purpose to obtain a model that correlates specific aspects of the electronic spectra to the polymer chemical structure. For this purpose polysilanes with a well defined chemical structure were synthesized in similar reaction conditions. UV investigations have been carried out to obtain the profile of the synthesized polysilane electronic spectra and identify the effects induced by both structural and conformational changes. Molecular modeling calculations were then correlated with the experimental results in order to connect the electronic system to the polysilane structure. Such a method is useful to study polysilanes with complex structures where parts of the polymeric architecture should have a specific influence on the conjugated electrons system.

Keywords

Polysilanes σ-conjugated polymers Optical properties Molecular modeling 
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Copyright information

© Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  • L. Sacarescu
    • 1
  • M. Fortuna
    • 1
  • M. Soroceanu
    • 1
  • C. Cojocaru
    • 1
  • G. Sacarescu
    • 1
  • M. Simionescu
    • 1
  • V. Harabagiu
    • 1
  1. 1.Institute of Macromolecular Chemistry “Petru Poni”IasiRomania

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