Abstract
Abstract A mathematical proof is given that under a certain condition the static and localization theories become completely equivalent to each other in predicting the reactivities in ionic substitutions of the positions in a given even alternant hydrocarbon. The said condition is concerned with the coefficients of the powers in the expansions of the secular determinants for the residual molecules. It is shown by numerical calculations that the condition is fulfilled by almost all positions in 12 molecules treated. The change in total energy of π-electrons is given as a function of a coulomb integral, and a new quantity called partial polarization energy is introduced which is defined as a function of the π-electron density at a given position. Both are useful for relating the static quantity to the dynamic one. The latter is a new measure of a general nature for the reactivity of the position towards the ionic reagents.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
