Theoretical Studies on Cycloaddition Rea
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Si-Ya Yang; Cheng-Ke Sun; De-Cai Fang
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Article
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2003
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John Wiley and Sons
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English
β 204 KB
π 2 views
## Abstract The mechanisms of cycloaddition reactions between 2βazaallene cations and isocyanates have been explored at the B3LYP/6β31G\* level. It is found that [2+2] or [2+4] cycloaddition reactions can take place via an intermediate when 2βazaallene cations react with 1 or 2 equiv. of isocyanate