Gillespie-Ingold mechanism

Example 4.1. Nitration of aromatics. The Gillespie-Ingold mechanism [1-3] of nitration of aromatic compounds according to... 

In this fashion, the set of rate equations of any simple pathway (unless it is part of a network) can be reduced to a single rate equation and the algebraic equations expressing the stoichiometry. To illustrate how much work can be saved in this way, let us return to the Gillespie-Ingold mechanism of nitration of aromatics, for which a repeated application of the Bodenstein approximation provided a rate equation in Example 4.4 in Section 4.3. 

For excellent discussions on aromatic nitration, see Gillespie and Miller, Quart. Rev., 2, 277 (1948) Ingold, Structure and Mechanisms in Organic Chemistry, p. 269, Cornell University Press, Ithaca, N.Y., 1953. 

One of the goals of the ELF approach is to provide an interpretative tool of quantum chemical calculations in terms of purely chemical concepts without the recourse to the nature of the approximate wave functions. The ELF recovers many features of the simple chemical models based on a spatial distribution of the valence electron, namely, the valence theory of G. N. Lewis, the mesomery concept of C. K. Ingold, and the VSEPR model of R. J. Gillespie and R. S. Nyholm. The partition of the electron density based on a statistical criterion provides a quantum mechanical support to the hypotheses which are explicitly or implicitly assumed in these models. Indeed, this statistical approach provides at least formally a mathematical bridge between quantum mechanics and chemistry which enables to critically think about the content and the definition of many chemical concepts related to the... 

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See also in sourсe #XX -- [ , , ]

See also in sourсe #XX -- [ , , ]

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