Abstract
The properties of the radical derived by hydrogen abstraction from formamide are investigated using the CNDO/2 and INDO molecular orbital methods. The geometry, vibrational frequencies, intramolecular energy barriers, proton tunnelling probabilities and hyperfine coupling constants are calculated. It is concluded that hydrogen abstraction occurs at the carbon atom to give a radical in the amino form. The radical is confined to this configuration by large energy barriers.
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