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Pramana

, Volume 11, Issue 2, pp 191–194 | Cite as

A link between the second-order Jahn-Teller effect and the highest occupied molecular orbital postulate for molecular shapes

  • Anjuli S Bamzai
  • B M Deb
Molecular Physics

Abstract

For a closed-shell molecule, a connection is drawn between two recent models for molecular shapes, namely, those based on the second-order Jahn-Teller (SOJT) effect and the highest occupied molecular orbital (HOMO) postulate respectively. Two necessary and sufficient conditions are derived within the molecular orbital framework for the approximation inherent in the SOJT model to be valid. One of these conditions is akin to the HOMO postulate.

Keywords

Jahn-Teller effect HOMO postulate molecular geometry 

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Copyright information

© the Indian Academy of Sciences 1977

Authors and Affiliations

  • Anjuli S Bamzai
    • 1
  • B M Deb
    • 1
  1. 1.Department of ChemistryIndian Institute of TechnologyBombay

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