Ultrafast Vibrational Spectroscopy of Perylene Diimide Complexes

Mier, Lynetta; Yan, Min; Danilov, E. O.; Epstein, A. J.; Gustafson, Terry L.; Champion, P. M.; Ziegler, L. D.

doi:10.1063/1.3482517

Cited by 2 publications

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“…First, the bands of the T 1 excited state are distinguishable from those of the ground (S 0 ) state. The bands of the T 1 state are also distinguishable from spontaneous resonance Raman or femtosecond-stimulated Raman spectra of PDI anions , or PDI in its lowest singlet (S 1 ) excited state. , The use of different excitation wavelengths in resonance Raman spectroscopy can provide an additional level of selective identification, apart from unique bands for each state. For example, with 1064 nm excitation, signatures from PDI anions are amplified relative to those of the neutral species .…”

Section: Discussionmentioning

confidence: 99%

“…Since the pioneering report of Ford and Kamat, TA spectroscopy continues to be a useful probe of 3 PDI*. − Electron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) spectroscopy are powerful techniques for identifying and characterizing triplet states of organic molecules, and their application to 3 PDI* has been demonstrated. − Surprisingly, the vibrational spectroscopy of 3 PDI* is largely unexplored. Among the few studies of PDI excited states by vibrational spectroscopy, − only one has recently identified several IR absorption bands of a triplet excited state . Here, we report resonance Raman spectra of a PDI dimer 1 (Scheme ) in its ground and lowest triplet states.…”

Section: Introductionmentioning

confidence: 89%

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Resonance Raman Spectra of a Perylene Bis(dicarboximide) Chromophore in Ground and Lowest Triplet States

2013

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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, and 1597 cm(-1) are signatures of the T1 excited state; a fifth band at ~1160 cm(-1) is tentatively assigned. Density functional calculations of an asymmetrically substituted PDI monomer match the experimental bands of the PDI dimer in both S0 and T1 states. The match supports a T1 excited state that is localized on a single PDI moiety of the dimer. The normal modes of the asymmetrically substituted PDI are correlated with ones calculated for the unsubstituted PDI in the D2h point group. Patterns in the Raman intensities are consistent with an A-term mechanism of enhancement. The positions of six bands are predicted for the resonance Raman spectrum of unsubstituted PDI in its T1 excited state. The spectra and normal-mode analysis reported here are expected to facilitate future studies of singlet fission in PDI crystals or other assemblies.

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