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Dithiafulvene deriv...
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Mansø, MadsKöpenhamns universitet,University of Copenhagen,Chalmers tekniska högskola,Chalmers University of Technology
(author)
Dithiafulvene derivatized donor-acceptor norbornadienes with redshifted absorption
- Article/chapterEnglish2019
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2019
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Royal Society of Chemistry (RSC),2019
Numbers
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LIBRIS-ID:oai:research.chalmers.se:fc7f3907-bc39-4dd8-8a15-1aefb973d04a
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https://research.chalmers.se/publication/508967URI
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https://doi.org/10.1039/c8cp07744dDOI
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Language:English
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Summary in:English
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Subject category:art swepub-publicationtype
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Subject category:ref swepub-contenttype
Notes
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Photoisomerization of norbornadiene (N) to its metastable isomer quadricyclane (Q) has attracted interest as a strategy for harvesting and storing solar energy. For this strategy to mature the absorption maximum of N has to be moved from the UV to the visible region. Here we show that functionalization of the system with dithiafulvene (DTF) electron donors causes remarkable redshifts of various N derivatives. Thus, some derivatives were found to absorb light with an absorption onset up to 556 nm. The incorporation of DTF units comes, however, with a drawback with regard to achieving reversible N-to-Q and Q-to-N isomerizations. For some derivatives, the photoisomerization was completely quenched. The compounds were subjected to a computational study to shed light on the underlying reason for this reluctance to undergo photoisomerization. The computational study revealed that in these systems, the first excited state (S 1 ) is positioned close to or lower than the transition state for photoconversion, effectively blocking a possible conversion to Q, thus revealing a practical challenge for the future design of N-Q energy storage systems with an improved solar spectrum match.
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Kilde, Martin DrøhseKöpenhamns universitet,University of Copenhagen
(author)
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Singh, Sandeep KumarChalmers tekniska högskola,Chalmers University of Technology
(author)
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Erhart, Paul,1978Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)erhart
(author)
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Moth-Poulsen, Kasper,1978Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)mkasper
(author)
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Nielsen, M. B.Köpenhamns universitet,University of Copenhagen
(author)
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Köpenhamns universitetChalmers tekniska högskola
(creator_code:org_t)
Related titles
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In:Physical Chemistry Chemical Physics: Royal Society of Chemistry (RSC)21:6, s. 3092-30971463-90841463-9076
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