| Literature DB >> 22876879 |
Akin Akdag1, Zdeněk Havlas, Josef Michl.
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.Year: 2012 PMID： 22876879 DOI： 10.1021/ja3063327
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419