Aggregate Formation of Boron-Containing Molecules in Thermal Vacuum Deposited Films

The spectral properties of new boron-containing dyes were studied. One-component (pure dyes) and composite “Alq₃+dye” thin films were fabricated using the thermal vacuum deposition method. The positions of the transmission spectra maxima in a one-component film are different for different film thicknesses. The best correlation of the maxima positions of the dye transmission spectra in solid and liquid solutions was observed for thicknesses of films close to a few (up to 10) monolayers. On the other hand, the absorption spectra maxima positions of one-component dye films (upper 10 nm) and composite films with high concentration, did not match the corresponding positions of absorption spectra maxima recorded in solutions. Comparison of the absorption spectra in one-component dye films and in solutions indicates the presence of both monomers and their aggregates in one-component films (contrary to solutions where such processes of aggregation do not take place, even at very high concentrations). Simultaneously with aggregation manifestation in the absorption spectra, the intensity of fluorescence of one-component dye films dramatically decreases. A quantum chemical simulation of the possible relative arrangement of two dye molecules indicates that the most possible of the simplest types of aggregates are physical dimers. Films of practical importance (due to efficient energy transfer from host to guest molecules when all singlet excitons are captured) possess a high quantum yield of fluorescence when reaching an impurity concentration of a few percent (aggregation does not take place yet).