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Theoretical study on thermochemistry of solvated lithium-cation with propylene carbonate

✍ Scribed by Haruhiko Ohtani; Yasukazu Hirao; Akihiro Ito; Kazuyoshi Tanaka; Osamu Hatozaki

Book ID
106447006
Publisher
Springer Netherlands
Year
2009
Tongue
English
Weight
415 KB
Volume
99
Category
Article
ISSN
0022-5215

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## 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