Sengupta, Debasis published the artcileStudies on the Norrish type II reactions of aliphatic α-diketones and the accompanying cyclization and disproportionation of 1 : 4 biradicals, Safety of 1-Methylcyclobutan-1-ol, the publication is Journal of Photochemistry and Photobiology, A: Chemistry (1993), 75(2), 151-62, database is CAplus.
The Norrish type II process of several alkyl diketones was examined using the AM1 semi-empirical MO method with complete geometry optimization at the CI level in the RHF frame. UHF calculations of the triplet state of the diketone lead to a decrease in symmetry and strong localization of excitation on one carbonyl. The results of RHF+CI reveal that diketones have much lower reactivities than monoketones and the barriers to conformational change in diketones play an important role in the triplet reaction. The cyclization and disproportionation reactions of the resulting 1:4 biradicals were studied in the UHF frame and the results were compared with those derived from alkyl monoketones. In many respects, the reactions of 1:4 biradicals derived from alkyl monoketones parallel those derived from diketones. The free valence indexes on the radical sites correlate qual. with the radical-like reactivities.
Journal of Photochemistry and Photobiology, A: Chemistry published new progress about 20117-47-9. 20117-47-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic cyclic hydrocarbon,Alcohol, name is 1-Methylcyclobutan-1-ol, and the molecular formula is C16H25BO2, Safety of 1-Methylcyclobutan-1-ol.
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