Citation
M. Spichty et al., Conformational dynamics in a methacrylate-derived radical: A computationaland EPR study, MACROMOLEC, 34(4), 2001, pp. 723-726
Citations number
28
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
MACROMOLECULES
ISSN journal
00249297
→ ACNP
Volume
34
Issue
4
Year of publication
2001
Pages
723 - 726
Database
ISI
SICI code
0024-9297(20010213)34:4<723:CDIAMR>2.0.ZU;2-S
Abstract
Dynamic phenomena are established for the [D-3]methyl (2SR,3RS)-2-methyl-4,
4,4-trichlorobutanoate-2-yl radical (1). This is revealed by EPR spectrosco
py and quantum chemical calculations. The minimum conformations B and D of
1 possess planar radical centers and are sepearated by an energy barrier of
12.0 +/- 1.8 kJ.mol(-1) (experimental; calculated, 11.0 kJ.mol(-1)).