Resonance Raman Spectra of a Perylene Bis(dicarboximide) Chromophore in Ground and Lowest Triplet States
作者： Maria Angelella , Chen Wang , Michael J. Tauber
DOI: 10.1021/JP407879K
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摘要: Resonance Raman spectroscopy is employed to probe the ground (S0) and lowest triplet (T1) excited states of a perylene bis(dicarboximide) (PDI) dimer. Four bands at ∼1324, 1507, ∼1535, 1597 cm–1 are signatures T1 state; fifth band ∼1160 tentatively assigned. Density functional calculations an asymmetrically substituted PDI monomer match experimental dimer in both S0 states. The supports state that localized on single moiety normal modes correlated with ones calculated for unsubstituted D2h point group. Patterns intensities consistent A-term mechanism enhancement. positions six predicted resonance spectrum its state. spectra normal-mode analysis reported here expected facilitate future studies singlet fission crystals or other...
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