Abstract

Infrared and Raman spectra of crystalline deltic acid and its deuterated derivative have been studied between 4000 and 20 cm −1. In order to specify vibrational assignment of ring and CO modes based on C 2v molecular symmetry, valence force field calculation was undertaken. It appears that the results obtained for simpler disubstituted cyclopropenones can be applied to deltic acid. So, the highest frequencies about 1930 and 1610 cm −1 involve nearly equal mixture of ring and CO stretching. Two different, strong but asymmetric OH ▪OC hydrogen bonds occur in crystal.

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