Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 24(23), p. 13574-13582, 2021
DOI: 10.1039/d1cp01441b
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Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight?
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Abstract
The relative stability of phenacenes compared to their acene isomers in their lowest-lying triplet states can be explained by a combination their (anti)aromatic character and the presence of H⋯H repulsions in the bay region of phenacenes.