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Nitrenes, Diradicals, and Ylides. Ring Expansion and Ring Opening in 2-Quinazolylnitrenes

✍ Scribed by Kvaskoff, David; Bednarek, Pawel; George, Lisa; Waich, Kerstin; Wentrup, Curt


Book ID
120338642
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
252 KB
Volume
71
Category
Article
ISSN
0022-3263

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On the Ring-Expansion in Aromatic Nitren
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## Abstract The ring expansion, phenylnitrene (**1**) β†’ azepinylidene (**3**) has been investigated using the CNDO/2 and Extended __HΓΌckel__ method. Both methods predict that the nitrene‐nitrogen of **1** is moving out of the molecular plane on the path of minimum energy. Whether an intermediate **