Issue 0, 1978

Electron spin resonance study of a bromo substituted σ* radical in X-irradiated bromodifluoroacetamide single crystals at 77 k

Abstract

At 77 K, X-irradiation of bromodifluoroacetamide single crystals gives rise to a number of radicals spread over 93.54 mT. One radical exhibits a spectrum due to two equivalent fluorines and a large bromine hyperfine interaction with an e.s.r. linewidth = 1.2 mT along the a* axis that remains unchanged upon deuteration of the amide group. This spectrum has been identified as due to a negatively charged σ*-radical in which the unpaired electron resides in a σ* antibonding C–Br orbital composed largley of p-orbitals from carbon and bromine. An X-ray structure of the parent compound shows the carbon—bromine bond direction to lie nearly along the maximum bromine hyperfine coupling and suggests that the σ*-radical is the precursor to ĊF2CONH2 observed at 200 K. The e.s.r. parameters of the resulting σ*-radical are A81zBr= 23.75 ± 0.05, A81xBr= 8.56 ± 0.1, A81yBr= 8.83 ± 0.1, AFz= 10.83 ± 0.1, AFx < 0.3, AFy < 0.3 mT; gz= 2.0017 ± 0.0005, gx= 2.0291 ± 0.001, gy= 2.0212 ± 0.001.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1978,74, 871-878

Electron spin resonance study of a bromo substituted σ* radical in X-irradiated bromodifluoroacetamide single crystals at 77 k

L. D. Kispert, R. Reeves and T. C. S. Chen, J. Chem. Soc., Faraday Trans. 2, 1978, 74, 871 DOI: 10.1039/F29787400871

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