Abstract

Abstract The electron spectra and core electron binding energies, obtained using ab initio STO-3G molecular orbital calculations of 3-(3-pyridyl)sydnone and the blue product of its photochromic transformation ( N -(3-pyridyl)- N -nitrosoaminoketene) are reported. The calculations yield the energies and shifts when the transformation from the colourless form to be coloured form takes place. The energy shifts are in good agreement with experimental data.

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