Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles
- 23 August 2012
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 134 (35), 14624-14631
- https://doi.org/10.1021/ja3063327
Abstract
Of the five small biradicaloid heterocycles whose S1, S2, T1, and T2 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.This publication has 41 references indexed in Scilit:
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