Search for a small chromophore with efficient singlet fission: biradicaloid heterocycles
Status PubMed-not-MEDLINE Language English Country United States Media print-electronic
Document type Journal Article
PubMed
22876879
DOI
10.1021/ja3063327
Knihovny.cz E-resources
- Publication type
- Journal Article MeSH
Of the five small biradicaloid heterocycles whose S(1), S(2), T(1), and T(2) adiabatic excitation energies were examined by the CASPT2/ANO-L-VTZP method, two have been found to meet the state energy criterion for efficient singlet fission and are recommended to the attention of synthetic chemists and photophysicists.
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