Potential energy contour diagram

Fig. 12-7. Potential energy contour diagram showing the course of an aromatic substitution X+ + ArH - ArX + H+ (after Zollinger, 1956 a).

Fig. 2.6 Potential energy contour diagram for a thermoneutral reaction.

The theory stems from the writer s work on simple electron transfer reactions of conventional reactants (5). A simple electron transfer reaction is defined as one in which no bonds are broken or formed during the redox step such a reaction might be preceded or followed by bondbreaking or bond-forming steps in a several-step reaction mechanism. Other chemical reactions involve rupture or formation of one or several chemical bonds, and only a few coordinates suffice to establish their essential features. In simple electron transfers in solution, on the other hand, numerous coordinates play a role. One cannot then use the usual two-coordinate potential energy contour diagram (4) to visualize the... 

Figure 4.20 The potential energy contour diagram corresponding to figure 4.18...

Figure 4.25 A potential energy contour diagram showing an activated intermediate...

Question. Figure 4.27 gives a potential energy contour diagram. What can be said about configurations along the line AB Identify the activated complex and activated intermediate in the diagram. 

Figure 5.1 A potential energy contour diagram for a symmetrical barrier...

Figure 5.10 A potential energy contour diagram for a light atom attacking in a reaction with a late barrier, showing energy requirements for reaction and energy disposal in products...

Figure 3.3 gives a potential energy contour diagram appropriate for pure pseudorotation. 

Fig. 3.3. Potential energy contour diagram appropriate to pseudorotation- An energy maximum occurs at the planar conformation, t = Z2 = 0. The minimum energy track is denoted as V = 0. [Reproduced from Harris, D. O., Engerholm, G. G., Tolman, C. A., Luntz, A. C., Keller, R. A., Kim, H., Gwinn, W. D. J. Chem. Phys. 50, 2438 (1969). 1...

Fig. 4.30. Potential energy contour diagram for cyclopentanone. The contour in the third and fourth quadrants is the mirror image of that in the first two quadrants. The interconversion of the two equivalent C2 conformers occurs via the planar conformation.

Fig. 15.11. Potential energy contour diagram for [HO-CHs-F] fragmentation as a function of the C-F distance and the O-C-F angle. The remaining coordinates are optimized at each point on the PES. Adapted from Ref [121].

Figure 3.8 Potential energy contour diagram for the C + CHjCij, CI3CH3 + Clf reaction in terms of the two C—Cl distances in a skewed axis representation. The remaining coordinates are set equal to their optimized values at each set of C—Cl and C—CI5 distances. Solid and dotted contour lines are at 5 and 15 kcal/mol intervals, respectively (Choetal., 1992).

Fig. 2-2 Potential-energy contour diagram for the linear XYZ system as a function of internuclear distance, a and d are potential-energy minima b, a maximum and c, a saddle point.

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