Abstract
Abstract Hückel propagator theory has been applied to the analysis of photochemical and thermochemical rearrangement reactions, such as [1,3] sigmatropy, valence isomerization of norcaradiene, Cope rearrangement et al. In treatments employing the frontier orbital theory, the molecule is sometimes separated into two parts, and the orbital interaction between specified orbitals of two fragments is taken into account. In the propagator theory, the molecule is always considered as a whole, assuming a resonable transition state. In this transition state, the bond order between sites responsible for the reactions under consideration is estimated, and then the perturbing interaction between these sites is introduced. Then we can evaluate the extra energy to determine whether the reaction occures or not.
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