Matrix Isolation and Computational Study of the Photochemistry of 1,3,2,4-Benzodithiadiazine

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• 作者：Nina P. Gritsan ; Elena A. Pritchina ; Thomas Bally ; Alexander Yu. Makarov ; Andrey V. Zibarev
• 刊名：Journal of Physical Chemistry A
• 出版年：2007
• 出版时间：February 8, 2007
• 年：2007
• 卷：111
• 期：5
• 页码：817 - 824
• 全文大小：299K
• 年卷期：v.111,no.5(February 8, 2007)
• ISSN：1520-5215

文摘

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 inargon 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 ofquantum chemical calculations. With selective irradiation, these intermediates can be mutually interconvertedas well as converted back to the starting compound 1.