Abstract
Solid-state resonance CARS spectroscopy is applied to investigate the vibronic properties of polydiacetylene chains and of the permanganate ion. Results are presented for single crystals of the symmetrically substituted diacetylene FBS where few polymer chains are embedded in the host lattice built by the monomers and for the permanganate ion doped in potassium perchlorate single crystals. Particularly, spectra of the C=C and the C≡C stretching vibrations of the polymer chains and of the fully symmetric ν1-breathing mode of the permanganate ion, recorded for different pump laser frequencies, have been investigated. For the polydiacetylenes a theoretical model is introduced which describes the excitation and line profiles. The model is based on a crude Born-Oppenheimer approximation. The electronic wave functions are calculated by means of an LCAO-MO method in the Huckel approach. The Franck-Condon integrals are calculated under the assumption of harmonic potential functions. The simulation of the CARS spectra is based on results of calculations of absorption and resonance Raman spectra obtained from the diacetylene single crystals.
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