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 study of physico-chemical properties of systems obtained through self-association by non-covalent interactions. It is multidisciplinary, covering topics in physical-organic, supramolecular and computational chemistry, photophysics and materials science.
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 are envisaged to enrich the understanding of physico-chemical factors in electron transfer processes in supramolecular systems constructed of D-A pairs employing the non-covalent hydrogen and M-L coordination bonding. It is expected that results will enable design of novel photoactive systems with more stable charge separated state and lower contribution of the charge recombination process. In the long run, results could be applied in the technological developments including sensors, fluorescent probes in biomedicine, organic photovoltaics, molecular electronics and heterogeneous catalysis. In addition, modification of classical synthetic procedures will lead to environmentally friendly synthetic protocols, which have great applicability potential for industrial processes. Training of younger scientists (both doctoral and postdoctoral) and dissemination of results are important aspects of the project. Knowledge obtained by students during the work on project will increase their employability in industry or academia.