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A Modified Population Analysis

  • Sándor Fliszár

Abstract

The comparison of quantum mechanical charge distributions with their “inductive” counterparts, f(n, q C ° ), reveals a strong common point relating theoretical charges derived in a variety of different manners. Indeed, although theoretically deduced results cover a wide spectrum of numeral values (ranging from C+-H- to C--H+ situations) supposedly describing net charges of selected atoms, each individual theoretical method yields a set of results reflecting the customary inductive effects of alkyl groups in a quite consistent fashion. In short, the set of “inductive” charges f(n, q C ° ), represents a summary of sets of theoretical results. Of course, the n and q C ° values to be used for reproducing theoretical charges differ from case to case (Table 2.9). This situation now raises the following questions.

Keywords

Alkyl Group Charge Distribution Inductive Effect Theoretical Method Atomic Charge 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag New York Inc. 1983

Authors and Affiliations

  • Sándor Fliszár
    • 1
  1. 1.Département de chimie, Faculté des arts et des sciencesUniversité de MontréalMontréalCanada

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