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Ab initio calculations on the isomerization of the 1,3-hexadien-5-yne radical cation to the benzene structure and to nonclassical ion structures

✍ Scribed by W. J. van der Hart


Book ID
103996898
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
788 KB
Volume
7
Category
Article
ISSN
1044-0305

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✍ Hofmann, Jörg ;Schulz, Kathrin ;Altmann, Annett ;Findeisen, Matthias ;Zimmermann 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 761 KB

## Abstract The 4‐substituted 1‐phenyl‐1‐butene‐3‐ynes 1a–c and the 2‐ethynylstyrenes 7a–c were subjected to high‐temperature pyrolysis. The cycloisomerization products isolated suggest that these are formed by three competing processes: by (i) an electrocyclic or a molecule‐induced, (ii) an alkeny