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Polycyclic Aromatic Compounds Volume 33, 2013 - Issue 2
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Original Articles

Using Pauling's Expanded Bond Order Concept in Determination of Bond Lengths in Polycyclic Aromatic Compounds Having Numerous Fixed Single and Double Bonds

Jerry Ray Dias Department of Chemistry, University of Missouri, Kansas City, Missouri, USA
Pages 138-150 | Received 05 Dec 2012, Accepted 07 Dec 2012, Published online: 27 Mar 2013
 
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Abstract

An amended Pauling bond order equation based on the number of Kekulé ( K ) and Dewar (DS) resonance structures is prs = ( K [G – (ers )] + 0.03DS[G – (ers )])/( K [G] + 0.03DS[G]) which reliably predicts the bond order of conjugated hydrocarbons.

Acknowledgments

This work was supported in part by the University of Missouri Board of Curators (K0906077).

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