Intermediates of photolysis of 1,3,2,4-benzodithiadiazines studied by matrix isolation spectroscopy and quantum chemistry

Intermediates of photolysis of 1,3,2,4-benzodithiadiazines studied by matrix isolation spectroscopy and quantum chemistry Full article

Journal

Russian Chemical Bulletin
ISSN: 1066-5285 , E-ISSN: 1573-9171

Output data

Year: 2001, Volume: 50, Number: 11, Pages: 2064-2070 Pages count : 7 DOI: 10.1023/A:1015032814197

Tags

1,3,2,4-benzodithiadiazine; 1,2,3-benzodithiazolyl radical; 1,2,3-benzodithiazol-2-ylnitrene; photolysis; UV spectroscopy; IR spectroscopy; ESR spectroscopy; matrix isolation; quantum yield; ab initio quantum-chemical calculations

Authors

Gritsan N.P. ^1,2 , Bagryansky V.A. ^1,2 , Vlasyuk I.V. ² , Molin Yu.N. ^1,2 , Makarov A.Yu. ³ , Platz M.S. ⁴ , Zibarev A.V. ³

Affiliations

1	(Данные Web of science) Russian Acad Sci, Inst Chem Kinet & Combust, Siberian Branch, Novosibirsk 630090, Russia
2	(Данные Web of science) Novosibirsk State Univ, Novosibirsk 630090, Russia
3	(Данные Web of science) Russian Acad Sci, Siberian Branch, NN Vorozhtsov Novosibirsk Inst Organ Chem, Novosibirsk 630090, Russia
4	(Данные Web of science) Ohio State Univ, Dept Chem, Columbus, OH 43210 USA

Photolysis of 12pi-electron, formally antiaromatic, 1,3,2,4-benzodithiadiazine (1a) and its tetrafluoro-substituted derivative (1b) was studied in glassy matrices at 77 K and in an argon matrix at 14 K by UV, IR, and ESR spectroscopy. In these matrices, a diamagnetic species (3a,b) is formed as a persistent species. It is product of the intramolecular transformations of heterocycles 1a,b and the precursor of 1,2,3-benzodithiazolyl radicals (2a,b). The nitrenoid structure, intermediate between the structures of singlet 1,2,3-benzodithiazol-2-ylnitrene RS-N: and the corresponding thiazyl RSequivalent toN, was ascribed to intermediate 3a,b in agreement with the data of IR spectroscopy.

Gritsan N.P. , Bagryansky V.A. , Vlasyuk I.V. , Molin Y.N. , Makarov A.Y. , Platz M.S. , Zibarev A.V.
Intermediates of photolysis of 1,3,2,4-benzodithiadiazines studied by matrix isolation spectroscopy and quantum chemistry
Russian Chemical Bulletin. 2001. V.50. N11. P.2064-2070. DOI: 10.1023/A:1015032814197 WOS Scopus РИНЦ

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