ANALYSIS OF ORGANIC-REACTIONS ON THE FRAMEWORK OF A 3-DIMENSIONAL REACTION DIAGRAM .2. THE ESTIMATION OF THE FORMATION ENERGY OF THE ION-MOLECULE COMPLEXES IN THE GAS-PHASE S(N)2 REACTIONS

The application of a newly developed three-dimensional reaction diagra m for the estimation of the energy of formation of ion-molecule comple xes in gas- phase S(N)2 reactions is presented. The cubic diagram and the developed mathematical model permit the explanation of the appeara nce of energetic minima on the reaction coordinate, predict the value of these minima, and give opportunity for the determination of the val ue of the barriers between them. The values of DELTAE(dest) of reactan ts in comparison with the state corresponding to the optimal distribut ion of their electron density are determined. The new parameter, tau, which is a measure of polarizability of the reacting particles is prop osed.