FWF - Die Maskierung von Si - Masking the Si=X building block- an ab initio study

Project: Research project

Project Details


Molecular simulations at the density functional level of theory show that the reactivity of unsaturated silicon
compounds can be attenuated using intramolecular groups containing nitrogen or oxygen on sufficiently large
For the design of new silicon based materials these unsaturated silicon compounds may play an important role as
building blocks. So far, it is difficult to stabilize them to prevent unwanted reactions. The model calculations
indicate that the silicon double bond is able to interact with suitable electron donor groups. These 'masking' groups
can be used to form adducts reducing the reactivity of the Si=X bond. With increasing temperatures the adducts
decompose again and the silicon compound can engage f.i. in polymerisation reactions. The donor group on the
intramolecular spacer could be used furthermore for cross-linking after formation of polymers with silicon
Effective start/end date1/03/0428/02/07