On the structure of acylaminyl radicals
β Scribed by Charles Brown; Alexander J. Lawson
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- French
- Weight
- 196 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0040-4039
No coin nor oath required. For personal study only.
β¦ Synopsis
The detailed structure of acylaminyl radicals (such as I) has been the subject of much debate.L The ESR measurements of Danen and Cellert', however , resolved much of the controversy surrounding the proposed o and v structures, in that the unpaired electron was deduced to be localised primarily in a nitrogen clear, however, whether the orbital in question la, or is located in the nodal plane as in lb2.
orbital of mainly p-character.
It is not conjugates with the carbonyl n-lobes as in lb 191
π SIMILAR VOLUMES
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
## Abstract The spin densities of the radical anions from 4βmethylcatechol, 4βcarboxylic catechol, and 3βmethylcatechol were calculated by means of the INDO method with the geometrical parameter adjusting method. The observed protion hyperfine coupling constants were exactly reproduced.