Abstract
The resonance Raman and time-resolved resonance Raman (TR{sup 3}) spectra of the title compound and nine of its deuteriated derivatives as well as the {sup 15}N and {sup 15}N{sub 2}-3,3{prime}-{sup 2}H{sub 2} analogues are reported. These data are used to refine the previously reported ground-state force field and to derive a corresponding force field for the anion-radical fragment of the {sup 3}MLCT excited state. These force fields reproduce the observed frequencies with average errors of {approx} 1%. In addition, the derived fields adequately reproduce the observed shifts upon {sup 3}MLCT-state formation, in general giving shifts of appropriate sign (some shifts are to higher frequencies) and approximately correct magnitudes. Finally, the excited-state normal-mode formulations (potential energy distributions) are compared with those derived for the ground-state species, and structural implications for the {sup 3}MLCT state are discussed.
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