Abstract

AbstractBased on CASSCF and CASPT2 calculations, the mechanisms of the photoreactions of 2H‐azirines are discussed. A general classification of substituent effects on non‐adiabatic singlet photoreactions is presented, and the effect of phenyl substituents on the photochemistry of 2H‐azirine, including the wavelength dependence of the photochemistry of 3‐phenyl‐2H‐azirine, is discussed in detail. Copyright © 2002 John Wiley & Sons, Ltd.

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