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The Stereochemical Consequences of Coulomb Polarization in Ground State Molecules

  • Nicolaos Demetrios Epiotis
Part of the Lecture Notes in Chemistry book series (LNC, volume 34)

Abstract

In the original monograph,1 we distinguished five different types of MOVB interaction matrix elements shown in Figure 1. In previous chapters, we have focused primary attention on the chemical implications of CT interaction and we have also seen what role bielectronic polarization plays in problems of molecular electronic structure, with the confines of VB and MOVB theory. Our intention now is to rationally design systems in which monoelectronic polarization and bielectronic correlation becomes as important as CT interaction and probe the stereochemical consequences of CW interaction brought about by the pij and Wij interaction matrix elements. For reasons that will become apparent, we shall refer to bonding effected by the pij and Wij. matrix elements as coulomb polarization refering to the specific mechanisms as either p or W polarization. For pedagogical reasons, we develop the theory of p and W polarization using elementary systems from which we ultimately generalize to the polyelectronic species. As we shall see, coulomb polarization becomes important when the constituent atoms of a system are weak overlap binders. Thus, this is yet another dimension of the general problem of weak binding first discussed in chapters 1 and 2.

Keywords

Interaction Matrix Element Molecular Electronic Structure Ground State Molecule Fragment Orbital Ligand Fragment 
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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References

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Copyright information

© Springer-Verlag Berlin Heidelberg 1983

Authors and Affiliations

  • Nicolaos Demetrios Epiotis
    • 1
  1. 1.Department of ChemistryUniversity of WashingtonSeattleUSA

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