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Theoretical study of the effect of resonance on π–π stacked firefly oxyluciferin dimers

Paper ID Volume ID Publish Year Pages File Format Full-Text
27203 44009 2014 5 PDF Available
Title
Theoretical study of the effect of resonance on π–π stacked firefly oxyluciferin dimers
Abstract

•Firefly oxyluciferin forms π–π stacking complexes.•Modulation of resonance leads to different transition energies and efficiencies.•This is due to changes in the degree of contributions made by orbital excitation.

Firefly oxyluciferin is a prime example in which π–π stacking interactions play an important role, by being the basis for the formation of sandwich-like oxyluciferin complexes. In the present study, we have used a theoretical methodology to further understand the effect of π–π stacking interactions in the properties of oxyluciferin molecule. More specifically, we have analysed the effect of resonance changes in oxyluciferin π–π stacking dimers. We have found that resonance changes have little effect on the ground state properties of the dimmers. More interestingly, by modulating the resonance of the dimmers we can obtain different transition energies and efficiencies. This results in changes in the degree of contributions made by the different orbital excitations that compose the excitation transition.

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Keywords
Oxyluciferin; Dimers; Resonance; π–π stacking; Aromaticity
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Theoretical study of the effect of resonance on π–π stacked firefly oxyluciferin dimers
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 278, 15 March 2014, Pages 9–13
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
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Any Questions? feel free to contact us