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Issue 1, 2011

The norbornene mystery revealed

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Abstract

The long-standing mystery surrounding the peculiar electronic structure of norbornene and its derivatives is revealed by the direct comparisons of their properties with those of reference analogues with localized double bonds (i.e. Lewis structures). Our block-localized wavefunction analysis coupled with the computations of NMR parameters evidently supports the manifestation of a density redistribution toward an incipient retro-Diels–Alder reaction.

Graphical abstract: The norbornene mystery revealed

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Article information


Submitted
26 Mar 2010
Accepted
14 Jun 2010
First published
24 Jun 2010

Chem. Commun., 2011,47, 227-229
Article type
Communication

The norbornene mystery revealed

S. N. Steinmann, P. Vogel, Y. Mo and C. Corminboeuf, Chem. Commun., 2011, 47, 227 DOI: 10.1039/C0CC00601G

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