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Ab initio studies on the mechanism of the fluoroketene-imine cycloaddition reaction: Via a gauche or trans intermediate

✍ Scribed by De-Cai Fang; Xiao-Yuan Fu

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 408 KB
Volume: 57
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)57:6<1107::aid-qua8>3.0.co;2-x

No coin nor oath required. For personal study only.

✦ Synopsis

The cycloaddition reaction of FCH=C =O and NH,CH=NH leading to 2-azetidinone was studied theoretically at the level of R H F / ~-~~G and R H F / ~-~~G * .

Two possible mechanisms via a gauche or trans intermediate were compared. The obtained results show that the reaction proceeds in a gauche manner much easier than in a trans one.

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