What is it about?
Calculations showed that the reaction occurs in the first excited singlet state through the formation of Dewar isomer.
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Why is it important?
For the first time calculations showed the presence of a conical intersection between the first excited state of 2-cyanotiophene and the corresponding Dewar isomer in the gound state
Perspectives
This work is in agreement with a general scheme explaining the photochemical isomerization of pentatomic heterocyclic compounds
Maurizio D'Auria
Universita degli Studi della Basilicata
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This page is a summary of: A CASSCF Study of the Photochemical Isomerization of 2-Cyanothiophene, Letters in Organic Chemistry, May 2026, Bentham Science Publishers,
DOI: 10.2174/0115701786402002251117061856.
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