๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A theoretical study of the electronic structure of .beta.-substituted alkyl radicals

โœ Scribed by Rossi, Angelo R.; Wood, David E.


Book ID
127142167
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
504 KB
Volume
98
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


A theoretical study of ฮฑ-substituted cyc
โœ M. H. Lien; A. C. Hopkinson ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 692 KB

The structures of a-X-cyclopropyl and a-X-isopropyl radicals (X = H, CH3, NH2, OH, F, CN, and NC) are reported at the RHF 3-21G level of theory. The isopropyl radicals are pyramidal with out-of-plane angles varying from 12" (X = CN) to 39" (X = NH2), and barriers to inversion ranging from 0.4 kcal/m

Theoretical study on the structure of ph
โœ Mauricio Guerra ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 238 KB

The experimental a(31p) hyperfine splitting (hfs) constants of the phosphonyl radicals Y21;O (Y = Me, OMe, NMe 2) are fairly well reproduced by ab initio calculations at the UMP2/DZP//TZP level of theory. The large increase observed experimentally in a(31p) with increasing electronegativity of the o