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Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles
Date
2012-09-01
Author
Akdağ, Akın
Michl, Josef
Metadata
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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 e singlet fission and are recommended to the attention of synthetic chemists and photophysicists.
Subject Keywords
Molecular wave-functions
,
Ano basis-sets
,
Exciton fission
,
Pentacene
,
Chemistry
,
Radicals
,
Fluorescence
,
Tetracene
,
Betaines
,
Spectra
URI
https://hdl.handle.net/11511/57842
Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI
https://doi.org/10.1021/ja3063327
Collections
Department of Chemistry, Article
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A. Akdağ and J. Michl, “Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles,”
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
, pp. 14624–14631, 2012, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57842.