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  The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene.

Idzik, K., Cywiński, P. J., Kuznik, W., Frydel, J., Licha, T., & Ratajczyk, T. (2015). The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene. Physical Chemistry Chemical Physics, 17, 22758-22769. doi:10.1039/C5CP03013G.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-0E09-E Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-0E0C-8
Genre: Journal Article

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Idzik, K.1, Author              
Cywiński, P. J., Author
Kuznik, W., Author
Frydel, J., Author
Licha, T., Author
Ratajczyk, T., Author
Affiliations:
1Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for biophysical chemistry, Max Planck Society, ou_578564              

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 Abstract: A detailed electrochemical, photophysical and theoretical study is presented for various new thienyl and furyl derivatives of pyrene. Their optical properties are described based on UV-VIS absorption and both steady-state and time-resolved fluorescence spectroscopy. DFT and TDDFT calculations are also presented to support experimental data. The calculations results show that HOMO–LUMO orbitals are delocalized uniformly between aromatic core and aryl substituents. Good electrochemical stability of thienyl and furyl hybrids of pyrene confirm their potential application for light emitting electrochemical cells or spintronics mainly due to their beneficial optical and charge transport properties in electrochromic devices. In order to demonstrate this potential, an OLED device is presented. Synthesized compounds included in this OLED device both facilitate electron transport and act as a light emitting layer.

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Language(s): eng - English
 Dates: 2015-07-282015
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1039/C5CP03013G
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Title: Physical Chemistry Chemical Physics
Source Genre: Journal
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Pages: - Volume / Issue: 17 Sequence Number: - Start / End Page: 22758 - 22769 Identifier: -