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The reacting bond rules, also known as Thornton's rules, describe how the
structure and energy of a transition state vary as a function of changes in the
energies of selected reaction parameters. The rules have many applications in
the interpretation of reactivity. The derivation of the "reacting bond rules"
is demonstrated using the graphics plotting routines available on programs such
as Mathematica. Using these same graphics plotting programs, the relationship
between three-dimensional energy plots, two-dimensional More O'Ferrall–Jencks
diagrams, and reaction coordinate diagrams is shown for the case of SN1 and SN2
substitution reactions. The graphical methods discussed herein are not restricted
to substitution reactions but are easily extended to other types of reactions.
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