Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 25, Issue 66, Pages 15147-15154Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201903371
Keywords
acenes; aggregation; electronic structure; heterocycles; matrix isolation
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Funding
- Deutsche Forschungsgemeinschaft (DFG) [SFB 1249]
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N-Heteropolycycles are attractive as materials in organic electronic devices. However, a detailed understanding of the low-energy electronic excitation characteristics of these species is still lacking. In this work, the matrix isolation technique is applied to obtain high-resolution absorbance spectra for a series of tetracene and core-substituted N-analogues. The experimental electronic excitation spectra obtained for matrix-isolated molecules are then analysed with the help of quantum-chemical calculations. Additional lower energy excitation bands in the spectrum of the core-substituted N-derivatives of tetracene could be explained in terms of intensity borrowing from dipole-forbidden transitions due to Herzberg-Teller vibronic coupling. In the case of tetracene, evidence for the additional formation of London dimers (J aggregates) is found at higher tetracene concentrations in the matrix.
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