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Stabilization of charged substrates by first- and second-row heteroatoms

โœ Scribed by Larson, James R.; Epiotis, N. D.


Book ID
127366889
Publisher
American Chemical Society
Year
1981
Tongue
English
Weight
686 KB
Volume
103
Category
Article
ISSN
0002-7863

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Stabilization of methyl anions by first-
โœ Gรผnther W. Spitznagel; Timothy Clark; Jayaraman Chandrasekhar; Paul Von Raguรฉ Sc ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 758 KB

The entire set of methyl anions, XCH,, substituted by first-row substituents, Li, BeH, BH2, CH3, NH2, OH, and F, was examined a t various ab initio levels. Diffuse orbital-augmented basis sets, such as 4-31+G and 6-31+~\*, are needed to describe the energies of these anions adequately. Estimates of