title: Search for a small chromophore with efficient singlet fission: biradicaloid heterocycles.
abstract: 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.
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 16110 Prague 2, Flemingovo nám. 2, Czech Republic.
authors.forename: Akin
authors.initials: A
authors.lastname: Akdag
authors.forename: Zdeněk
authors.initials: Z
authors.lastname: Havlas
authors.forename: Josef
authors.initials: J
authors.lastname: Michl