This article is cited in 22 papers

Effect of spin density on the photochemical stability of aromatic nitrenes

S. V. Chapyshev

Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region, Russian Federation

Abstract: FTIR studies and UB3LYP/6-31G* calculations showed that triplet nitreno-1,3,5-triazines with zero-field splitting D-parameters of |D/hc| > 1.40 cm^–1 and spin populations on the nitrene centres of ρ_N > 1.77 are photochemically very stable and do not rearrange into ring-expanded products on photolysis in cryogenic matrices.

Language: English

DOI: 10.1070/MC2003v013n02ABEH001722

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