[en] Molecular and electronic structures as well as electronic and vibrational spectra of compounds 1-3 were investigated. The spectra were recorded in the large spectral range from 400 to 50,000 cm^-1; our interest was focused on the electronic excitations of both moieties of the dyad and the intramolecular vibrations of the dyad's components. With the help of the Gaussian 03 program, molecular geometry, electron structure and normal mode analysis for the dyad and/or reference compounds were studied. An assignment of the main vibrational bands of the dyad and its reference molecules was made taking into consideration their IR and Raman spectra as well as results of the normal mode analysis. In principle, the intramolecular vibrations typical for C₆₀ and tetrathiafulvalene (TTF) derivatives can be found in the spectra of the dyad; the bands' frequencies are insignificantly shifted comparing with the separated molecules but their shape is usually modified. It suggests that symmetry and molecular structure of both components of the dyad are rather kept after dyad's formation but redistribution of charges occurs