Faculté des sciences

Matrix isolation and computational study of the photochemistry of 1,3,2,4-Benzodithiadiazine

Gritsan, Nina P. ; Pritchina, Elena A. ; Bally, Thomas ; Makarov, Alexander Yu. ; Zibarev, Andrey V.

In: The Journal of Physical Chemistry A, 2007, vol. 111, no. 5, p. 817 -824

Photolysis of 1,3,2,4-benzodithiadiazine (1) at ambient temperature yields stable 1,2,3-benzodithiazolyl radicals. In order to reveal the mechanism of this unusual transformation, the photochemistry of 1 was studied in argon matrices using IR and UV-vis spectroscopy. A series of intermediates, including four- and five-membered heterocyclic and o-quinoid acyclic species, were characterized... Plus

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    Summary
    Photolysis of 1,3,2,4-benzodithiadiazine (1) at ambient temperature yields stable 1,2,3-benzodithiazolyl radicals. In order to reveal the mechanism of this unusual transformation, the photochemistry of 1 was studied in argon matrices using IR and UV-vis spectroscopy. A series of intermediates, including four- and five-membered heterocyclic and o-quinoid acyclic species, were characterized spectroscopically with the help of quantum chemical calculations. With selective irradiation, these intermediates can be mutually interconverted as well as converted back to the starting compound 1