Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 9, Issue 13, Pages 3567-3572Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.8b01045
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Funding
- NSF [CHE-1362504, CHE-1464855]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1362504, 1464855] Funding Source: National Science Foundation
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The photophysical properties of a series of heteroatom substituted indoles are explored to identify chemical means to control their emissive activity. In particular, we consider impacts of changes in the conjugated backbone, where the C=N bonds of benzoxazoles are replaced by C=P bonds (benzox-aphospholes). The effects of extending the pi-conjugation, incorporating various secondary heteroatoms (X-C=P), and enforcing planar rigidity are also examined. Our computational analysis explains the higher fluorescence efficiency observed with extended pi-conjugation and highlights the importance of maintaining molecular planarity at both ground- and emissive-state geometries.
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