Research of elektro-optical properties of novel organic materials as precursors with potential application in electronic and nanotechnology.Supervisor: prof. Ing. Vladimír Lukeš, DrSc.
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|Project description:||Quantum-chemical study (at the ab initio, DFT and semiempirical levels) of the electronic structure and properties of benzenoid and heterocyclic compounds of furane, thiophene, pyrrole, imidazole and pyrazine derivatives with potential electro- and photoactive properties will be performed. The basic relations between structure (e.g. conformations, effective conjugation length, effect of substitutents), microscopic quantities (dipole moments, polarizabilities, hyperpolarizabilies, HOMO-LUMO separation) and absorption and luminescence spectral characteristics will be investigated. A selection of new molecules which are perspective candidates for electro-optical applications and nano-technique will be proposed on the basis of this research.|
|Kind of project:||VEGA ()|
|Department:||Department of Chemical Physics (IPC FCFT)|
|Project status:||Successfully completed|
|Project start date :||01. 01. 2006|
|Project close date:||31. 12. 2008|
|Number of workers in the project:||1|
|Number of official workers in the project:||0|