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Understanding the Woodward–Hoffmann Rules by Using...
Journal article

Understanding the Woodward–Hoffmann Rules by Using Changes in Electron Density

Abstract

The Woodward-Hoffmann rules for pericyclic reactions are explained entirely in terms of directly observable physical properties of molecules (specifically changes in electron density) without any recourse to model-dependent concepts, such as orbitals and aromaticity. This results in a fundamental explanation of how the physics of molecular interactions gives rise to the chemistry of pericyclic reactions. This construction removes one of the key …

Authors

Ayers PW; Morell C; De Proft F; Geerlings P

Journal

Chemistry - A European Journal, Vol. 13, No. 29, pp. 8240–8247

Publisher

Wiley

Publication Date

October 5, 2007

DOI

10.1002/chem.200700365

ISSN

0947-6539