Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles

Overview

Journal J Am Chem Soc

Publisher American Chemical Society

Specialty Chemistry

Date 2012 Aug 11

PMID 22876879

Citations 8

Authors

Akin Akdag

Zdenek Havlas

Josef Michl

Affiliations

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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.

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