CHARACTERIZATION AND IMPROVEMENTS OF PRESUMPTIVE MOLECULAR SWITCH MOLECULES

Organic donor-bridge-acceptor (D-B-A) molecules are studied using experimental and theoretical methods. Solvatochromic shifts of the spectra for both series of molecules were interpreted using a Lippert analysis. In the conjugated D-B-A systems the charge separation upon excitation is found to be about 30%-40%. In the non-conjugated molecules the charge separation was only about 7%-14%. Quantum-chemical calculations of spectra and geometry for some not yet synthesized molecules were performed in order to seek to increase the amount of direct charge separation upon excitation.