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Issue 1, 2011
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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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Publication details

The article was received on 26 Mar 2010, accepted on 14 Jun 2010 and first published on 24 Jun 2010


Article type: Communication
DOI: 10.1039/C0CC00601G
Chem. Commun., 2011,47, 227-229

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    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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