9,9′-Bianthryl and its van der Waals complexes studied by rotational coherence spectroscopy: Structure and excited state dynamics
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44.RCS traces were simulated by computer software which was developed by our group on the basis of the equations in Ref. 73. The simulation program can be utilized both for the RCS–TCSPC and the pump-probe RCS–TRFD schemes.
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69.In the case of a symmetric-top rotor, the respective contributions of the hybrid-type transitions to the J-type transients are for for for , and for , where denotes the excitation via parallel transition followed by the fluorescence via perpendicular transition. These four contributions cancel each other to diminish the magnitude of the J-type transients depending on the parallel and perpendicular components of the hybrid transition.
70.The relative components for the hybrid transition were evaluated from the model calculation where an instant hybrid components associated with the model structure of the complex at a given torsional angle are averaged over the vibrational wave function of the relevant torsional level.
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78.The change in the direction of figure axes forces the rotational asymmetric-top wave functions to form a linear combination of , where and stand for the eigenfunctions with the new and the initial rotating axes, respectively. The distortion of the rotational wave functions gives an additional broadness to the distribution of rotational constants. The total angular momentum is, of course, conserved even during IVR process.
79.The fluorescence decay time which is reduced rather than that of the monomer of 11 ns results from the enhancement of ISC process promoted by IVR, which is sometimes explained as the heavy atom effect by the Ar atom.
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89.The calculated state density of complex results in states per at Franck–Condon region of 220 from the evaluation that all the 6 vdW vibrational modes to couple with was taken from the model of benzene– complex and the counting was performed with the anharmonic frequencies corresponding to torsional levels of the complex.
90.O. Kajimoto (unpublished result).
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