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Conformational dynamics in a methacrylate-derived radical: A computational and EPR study
Macromolecules, 34(4):723–726.
Dynamic phenomena are established for the [D3]methyl (2SR,3RS)-2-methyl-4,4,4-trichlorobutanoate-2-yl radical (1). This is revealed by EPR spectroscopy 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).
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