Abstract
A methodology for conceptualization and construction of potential energy curves for a variety of organic reactions is presented. We suggest that in all reactions which involve covalent bond-making and bond-breaking steps, the ground potential energy curve arises from an intersection of two curves-one which is initially a ground configuration and the other an excited configuration which contains the VB “image” of the product. The curve crossing turns out to be a heuristic electronic promotion which prepares the closed shell reactants for bond reorganization. It may also be described as a switchover of two VB structures, one reactant-like, the other product-like. This behavior is shown to be general whenever at least one of the reactants is closed shell. Examples are given for nucleophilic, electrophilic, and symmetry-forbidden reactions.
Original language | English |
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Pages (from-to) | 3692-3701 |
Number of pages | 10 |
Journal | Journal of the American Chemical Society |
Volume | 103 |
Issue number | 13 |
DOIs | |
State | Published - Jul 1981 |
Externally published | Yes |