On the photochemical reaction of pyridinium salts with nucleophiles

DFT calculations on the photochemical reaction of 1- n–N- butylpyridinium salt in water with hydroxide anion is in agreement with a singlet state process where the S 2 state at λ  = 253 nm can be converted into a Dewar isomer (2-butyl-2-azabicyclo[2.2.0]hexa-2,5-dien-2-yl cation). The Dewar isomer c...

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Bibliographic Details
Published in:Photochemical & photobiological sciences 2021-07, Vol.20 (7), p.923-926
Main Author: D’Auria, Maurizio
Format: Article
Language:English
Subjects:
Biochemistry
Biomaterials
Chemistry
Chemistry and Materials Science
Original Papers
Physical Chemistry
Plant Sciences
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Summary:DFT calculations on the photochemical reaction of 1- n–N- butylpyridinium salt in water with hydroxide anion is in agreement with a singlet state process where the S 2 state at λ  = 253 nm can be converted into a Dewar isomer (2-butyl-2-azabicyclo[2.2.0]hexa-2,5-dien-2-yl cation). The Dewar isomer can react with hydroxide anion giving the product, 6- n -butyl-6-azabicyclo[3.1.0]hex-3-en-2-ol.
ISSN:1474-905X
1474-9092
DOI:10.1007/s43630-021-00070-6