Radical cations and triplet states of 1,2-disubstituted cyclopropanes: Comparison of potential surfaces
Photochemical and Photobiological Sciences, ISSN: 1474-9092, Vol: 11, Issue: 6, Page: 931-937
2012
- 7Citations
- 1Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Metrics Details
- Citations7
- Citation Indexes7
- CrossRef7
- Captures1
- Readers1
Article Description
Radical ion pairs generated by photo-induced electron transfer from 1,2-disubstituted cyclopropanes to various acceptors undergo return electron transfer in pairs of singlet and triplet multiplicity. The pair energies relative to the reactant ground states and to accessible triplet states, respectively, determine the competition between the recombination pathways. The potential surfaces of the radical cations and triplet states of 1,2-diphenyl-, 1, and 1,2-dimethylcyclopropane, 2, have been examined by density functional theory calculations. The radical cation surfaces have minima at geometries that retain significant bonding between C-1 and C-2, preventing geometric isomerization of the radical cations. The triplet potential surfaces are dissociative with minimal rotational differentiation at long distances between C-1 and C-2.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84868222855&origin=inward; http://dx.doi.org/10.1039/c1pp05334e; http://www.ncbi.nlm.nih.gov/pubmed/22223030; https://link.springer.com/10.1039/c1pp05334e; https://dx.doi.org/10.1039/c1pp05334e; https://link.springer.com/article/10.1039/c1pp05334e
Springer Science and Business Media LLC
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