Reactive island theory isomerization

Gray-Rice Theory Versus Reactive Island Theory Isomerization in Double-Well Systems Isomerization in a Triple-Well System Isomerization of 3-Phospholene Isomerization of HCN — CNH Isomerization of Cyclobutanone (C4H6O)... 

A beautiful classical theory of unimolecular isomerization called the reactive island theory (RIT) has been developed by DeLeon and Marston [23] and by DeLeon and co-workers [24,25]. In RIT the classical phase-space structures are analyzed in great detail. Indeed, the key observation in RIT is that different cylindrical manifolds in phase space can act as mediators of unimolecular conformational isomerization. Figure 23 illustrates homoclinic tangling of motion near an unstable periodic orbit in a system of two DOFs with a fixed point T, and it applies to a wide class of isomerization reaction with two stable isomer... 

Then, how can one capture the global aspects of the phase-space geometry from the geometric structure of the phase space in that local region One can find an essential clue from an insightful classical theory for isomerization reactions composed of two DOFs, so-called reactive island theory (RIT) developed by De Leon, Marston, Mehta, and Ozorio De Almeida [34—37] (see also Ref. 55). 

N. De Leon and S. Ling, /. Chem. Phys., 101,4790 (1994). Simplification of the Transition State Concept in Reactive Island Theory Application to the HCN HNC Isomerization. 

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