title: Matrix isolation and computational study of the photochemistry of 1,3,2,4-benzodithiadiazine.
abstract: 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.
authors.affiliation: Institute of Chemical Kinetics and Combustion, Siberian Branch of Russian Academy of Sciences, 630090 Novosibirsk, Russia. gritsan@kinetics.nsc.ru
authors.forename: Nina P
authors.initials: NP
authors.lastname: Gritsan
authors.forename: Elena A
authors.initials: EA
authors.lastname: Pritchina
authors.forename: Thomas
authors.initials: T
authors.lastname: Bally
authors.forename: Alexander Yu
authors.initials: AY
authors.lastname: Makarov
authors.forename: Andrey V
authors.initials: AV
authors.lastname: Zibarev
mesh_terms: D001128:Argon / Q000737:chemistry*; D001581:Benzothiadiazines / Q000737:chemistry* / Q000528:radiation effects; D052160:Benzothiazoles / Q000737:chemistry / Q000528:radiation effects; D003198:Computer Simulation; D005609:Free Radicals / Q000737:chemistry / Q000528:radiation effects; D007834:Lasers; D008956:Models, Chemical; D015394:Molecular Structure; D010777:Photochemistry; D010782:Photolysis; D011789:Quantum Theory; D012680:Sensitivity and Specificity; D013056:Spectrophotometry, Ultraviolet / Q000379:methods; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods
chemical_list: C519083:1,3,2,4-benzodithiadiazine; D001581:Benzothiadiazines; D052160:Benzothiazoles; D005609:Free Radicals; D001128:Argon