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Stabilization of methyl anions by first row substituents

✍ Scribed by Timothy Clark; Körner Heinrich; Paul von Ragué Schleyer

Book ID
104213051
Publisher
Elsevier Science
Year
1980
Tongue
French
Weight
262 KB
Volume
21
Category
Article
ISSN
0040-4039

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📜 SIMILAR VOLUMES

Stabilization of methyl anions by first-
Stabilization of methyl anions by first-row substituents. The superiority of diffuse function-augmented basis sets for anion calculations
✍ Günther W. Spitznagel; Timothy Clark; Jayaraman Chandrasekhar; Paul Von Ragué Sc 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 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

Stabilization of methyl cations by secon
Stabilization of methyl cations by second row substituents
✍ Timothy Clark; Paul von Ragué Schleyer 📂 Article 📅 1979 🏛 Elsevier Science 🌐 French ⚖ 241 KB

With the exception of PH2 (vs. NH2) all second row substituents, Na, MgH, A1H2, SiH3, SH and Qstabilize methyl cations more effectively than their first row counterparts. The effect of PH2, SH, and Cl substituents on the stability of methyl cations have been compared with NH2, OH, and F.le3 The same