Matrix Isolation and Computational Study of the Photochemistry of
1,3,2,4-Benzodithiadiazine
Nina P. Gritsan
Elena A. Pritchina
Thomas Bally
Alexander Yu. Makarov
Andrey V. Zibarev
10.1021/jp063977k.s001
https://acs.figshare.com/articles/dataset/Matrix_Isolation_and_Computational_Study_of_the_Photochemistry_of_1_3_2_4_Benzodithiadiazine/3027376
Photolysis of 1,3,2,4-benzodithiadiazine (<b>1</b>) at ambient temperature yields stable 1,2,3-benzodithiazolyl radicals.
In order to reveal the mechanism of this unusual transformation, the photochemistry of <b>1</b> was studied in
argon matrices using IR and UV−vis spectroscopy. A series of intermediates, including four- and five-membered heterocyclic and <i>o</i>-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 <b>1</b>.
2007-02-08 00:00:00
irradiation
quantum chemical calculations
radical
Computational Study
compound
species
interconverted
benzodithiadiazine
argon matrices
mechanism
intermediate
BenzodithiadiazinePhotolysi
series
transformation
IR
Photochemistry
matrix Isolation
benzodithiazolyl
photochemistry
UV
heterocyclic
ambient temperature yields
spectroscopy
spectroscopically
acyclic
1.