Polythienylene–Vinylene Structure–Function Correlations Revealed from Resonance Raman Spectroscopy and Photocurrent Imaging
| Autor: | Yang Qin, Cody Aldaz, Jian Gao, Jianzhang Yang, Alan K. Thomas, John K. Grey, Guoshun Yang |
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| Rok vydání: | 2015 |
| Předmět: |
Chemistry
Overtone Resonance Raman spectroscopy Analytical chemistry Molecular physics Spectral line Surfaces Coatings and Films Electronic Optical and Magnetic Materials symbols.namesake General Energy Molecular vibration Excited state Singlet fission symbols Coherent anti-Stokes Raman spectroscopy Physical and Theoretical Chemistry Raman spectroscopy |
| Zdroj: | The Journal of Physical Chemistry C. 119:8980-8990 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.5b02166 |
| Popis: | New structure–function correlations are revealed in poly(3-alkyl-thienylenevinylene) (P3ATV) derivatives using resonance Raman spectroscopy techniques. P3ATVs are prototype conjugated polymers that have received increased attention recently due to reports of efficient singlet fission following excitation of the lowest energy allowed (1Bu) excited state. Raman spectra are measured with excitation wavelengths resonant with the P3ATV 1Bu absorption line shape (∼450–750 nm) to probe geometrical rearrangements incurred in this initial excited state. Rich spectral features are resolved, namely, multiple overtone and combination progressions involving the main P3ATV symmetric skeletal stretching vibrational modes. We use a time-dependent wavepacket approach to calculate the Raman cross-correlation wavepacket overlap function for each displaced mode and their extent of displacement in the excited state. Fit parameters are checked by simulating optical absorption spectra that show good agreement with experimental ... |
| Databáze: | OpenAIRE |
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