1973 Volume 46 Issue 10 Pages 2955-2959
The infrared spectra (400–4000 cm−1) were measured with neutral p-bromanil and its anion radical. Appreciable frequency differences between their corresponding bands were observed. The fundamental frequencies were assigned, and the simple Urey-Bradley force fields were determined for both the neutral p-bromanil and its anion radical. The differences in the molecular and electronic structures between these two molecules were discussed on the basis of these results. The half-occupied molecular orbital of the p-bromanil anion radical was found to belong to the b3g irreducible representation.
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