Electron‐molecular vibration coupling in the cation‐radical salt of a giant analogue of TTF with ClO anion

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AbstractSpectral studies of an ion‐radical salt DClO4 of a giant analogue (D) of TTF are performed in which the dihydro‐TTF core is bearing the two conjugated 1,4‐dithiafulvalen‐6‐yl side arms. Both IR absorption and electronic spectra of the donor molecule are measured; Raman scattering is also accomplished. Our main attention is paid to the electronmolecular vibration coupling in the DClO4 salt. It is shown that the idea of treating the donor molecules as an aggregate of two parts excited by the intramolecular charge transfer is an acceptable first approximation of the EMV coupling in the giant π‐donor. The EMV coupling constants are calculated and compared with those determined for the parent TTF molecule.