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A SCF MO study on the reaction mechanism of quaternary ammonium cation with hydroxide ion

✍ Scribed by Ting-Hua Tang; De-Yi Yan; Shuang-Quan Su; Xiao-Yuan Fu


Book ID
119117301
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
451 KB
Volume
183
Category
Article
ISSN
0166-1280

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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