Non-covalent interactions in design of novel photosensitive molecules
Project addresses two key research objectives in the European Union: energy and environment conservation. The scientific approach is based on a combination of theoretical and experimental knowledge and experience of collaborators, and includes quantum-chemical calculations and molecular modelling in the molecular design, chemical synthesis and physico-chemical characterisation of molecules. The aim of project is to study fundamental physico-chemical properties of supramolecular systems built by non-covalent interactions (NC) - hydrogen bonding and metal-ligand coordination. The objectives are: a) Synthesis and structural characterization of functionalized bis-chromophoric molecular systems possessing guanidine, (thio)urea and carboxylate functionalities by employment of novel environmentally friendly synthetic methods; b) Detailed insight into the fundamental mechanisms how NC bonds mediate excited energy-transfer processes from one chromophore to another within assemblies; c) Analysis of influence of guanidine and (thio)urea functionalities and their anion complexation on the spectroscopic properties; d) Study of novel assemblies based on NC interactions and influence of different media; e) Development of model heterogeneous photo-responsive catalysis materials; f) Construction of complex multichromophoric supramolecular assemblies. Results of fundamental studies carried out within this project will enrich the understanding of physico-chemical factors in electron transfer processes in supramolecular systems constructed of chromophoric pairs employing the non-covalent bonding. Expected results will enable design of novel photoactive systems which could be applied in the technological development including sensors, fluorescent probes in biomedicine, organic photovoltaics, molecular electronics and heterogeneous catalysis.