A comprehensive theoretical study on the
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Yi Ren; San-Yan Chu
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Article
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2003
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Elsevier Science
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English
β 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