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Weight Watchers électronique : calculez votre poids de formes résonantes : Ou les bienfaits du numérique, même approximatif

Abstract : To celebrate the centenary of G.N. Lewis’ envision of the chemical bond, this article shows how the resonance between contributing resonance structures (which are none other than Lewis structures) may be modeled by very simple calculations. The overlap between structures is computed to evaluate their weights, and a trust factor is defined. It is convenient to consider such a trust factor to ensure that the description using “resonance between contributing structures” and the one that describes “electron delocalization” are consistent. Thus it helps to answer to the question: “Should I add this additional Lewis structure?” The example of methylene cyclopropene is used to show the interest of quantifying the weight of resonant structures. This species is highly polarized with a negative charge on the exocyclic carbon, which is easy to understand considering that this charge corresponds to mesomeric forms having an aromatic ring.
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Yannick Carissan, Denis Hagebaum-Reignier, Stephane Humbel, Nicolas Goudard. Weight Watchers électronique : calculez votre poids de formes résonantes : Ou les bienfaits du numérique, même approximatif. L'Actualité Chimique, Société chimique de France, 2016, L'actualité chimique, 406, pp.36-40. ⟨hal-01347244⟩

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