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A SN2 Reaction That Avoids Its Deep Potential Energy Minimum

✍ Scribed by Sun, L.


Book ID
124058207
Publisher
American Association for the Advancement of Science
Year
2002
Tongue
English
Weight
791 KB
Volume
296
Category
Article
ISSN
0036-8075

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A comprehensive theoretical study on the
✍ Yi Ren; San-Yan Chu πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 244 KB

Gas phase identity ion pair S N 2 reactions at nitrogen LiX + NH 2 X ! XNH 2 + LiX (X ΒΌ F, Cl, Br and I) are investigated at the G2M(+) level. Two reaction mechanisms, inversion and retention, are proposed. Results indicate the inversion mechanism is favorable for all halogens. Including Li in the a