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Triplet state homoaromaticity: concept, computational validation and experimental relevance

Cyclic conjugation that occurs through-space and leads to aromatic properties is called homoaromaticity. Here we formulate the homoaromaticity concept for the triplet excited state (T(1)) based on Baird's 4n rule and validate it through extensive quantum-chemical calculations on a range of diff...

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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Jorner, Kjell, Jahn, Burkhard O., Bultinck, Patrick, Ottosson, Henrik
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5916107/
https://ncbi.nlm.nih.gov/pubmed/29732099
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc05009g
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