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Gas-Phase Identity S N 2 Reactions of Halide Anions and Methyl Halides with Retention of Configuration

โœ Scribed by Glukhovtsev, Mikhail N.; Pross, Addy; Schlegel, H. Bernhard; Bach, Robert D.; Radom, Leo

Book ID
125999648
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
234 KB
Volume
118
Category
Article
ISSN
0002-7863

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Modified Gaussian-2 level investigation
Modified Gaussian-2 level investigation of the identity ion-pair SN2 reactions of lithium halide and methyl halide with inversion and retention mechanisms
โœ Yi Ren; San-Yan Chu ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 176 KB

Identity ion-pair S(N)2 reactions LiX + CH(3)X --> XCH(3) + LiX (X = F, Cl, Br, and I) have been investigated in the gas phase and in solution at the level of the modified Gaussian-2 theory. Two possible reaction mechanisms, inversion and retention, are discussed. The reaction barriers relative to t