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Comments on photochromism of 3-(3-pyridyl)sydnone and 4-alkenylsydnones

Wentrup, C., Kvaskoff, D. and Veedu, R.N. (2015) Comments on photochromism of 3-(3-pyridyl)sydnone and 4-alkenylsydnones. Journal of Photochemistry and Photobiology A: Chemistry, 298 . pp. 62-63.

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The blue photochromism of sydnones 1, in particular 3-(3-pyridyl) sydnone 1a, has been ascribed to the formation of nitrosaminoketenes 2 as carriers of the blue color, allegedly supported by CNDO/S-CI and STO-3G calculations. New calculations at TD-B3LYP/6-31+G**, RM06-2X/6-311+ +G(d,p), CAM-B3LYP/6-311++G(d,p), and CASPT2//CASSCF(6,6)/PVDZ levels demonstrate that the nitrosaminoketenes should be yellow and cannot possibly be blue. The sydnone photochromsm is not currently understood, and further experimental and computational investigation is required.

Item Type: Journal Article
Publisher: Elsevier BV
Copyright: © 2014 Elsevier B.V.
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