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Theoretical Studies on Cycloaddition Reactions between 2-Azoniaallene Cations and Olefins

✍ Scribed by Yang, Si-Ya; Sun, Cheng-Ke; Fang, De-Cai

Book ID
126816424
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
133 KB
Volume
67
Category
Article
ISSN
0022-3263

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πŸ“œ SIMILAR VOLUMES

Theoretical Studies on Cycloaddition Rea
Theoretical Studies on Cycloaddition Reactions of 2-Azaallene Cations with Isocyanates
✍ Si-Ya Yang; Cheng-Ke Sun; De-Cai Fang πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 204 KB πŸ‘ 2 views

## Abstract The mechanisms of cycloaddition reactions between 2‐azaallene cations and isocyanates have been explored at the B3LYP/6‐31G\* level. It is found that [2+2] or [2+4] cycloaddition reactions can take place via an intermediate when 2‐azaallene cations react with 1 or 2 equiv. of isocyanate

A DFT study on the mechanisms for the cy
A DFT study on the mechanisms for the cycloaddition reactions between 1-Aza-2-azoniaallene cations and carbodiimides
✍ Jing-Mei Wang; Zhi-Minhg Li; Quan-Rui Wang; Feng-Gang Tao πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 672 KB

## Abstract The mechanisms of the title reactions between 1‐aza‐2‐azoniaallene cations and carbodiimides in the gas phase have been examined using the Becke‐3‐parameter‐Lee‐Yang‐Parr (B3LYP) at 6‐31++G\*\* level. The theoretical results revealed that the reaction is a domino reaction that comprises