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À propos de : Toward an Understanding of the Acceleration of Diels−AlderReactions by a Pseudo-intramolecular Process Achieved byMolecular Recognition. A DFT Study        

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  • Toward an Understanding of the Acceleration of Diels−AlderReactions by a Pseudo-intramolecular Process Achieved byMolecular Recognition. A DFT Study
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  • The pseudo-intramolecular Diels−Alder (DA) reaction between a 2-substituted furan (1) and a N-maleimidederivative (2) has been analyzed using DFT methods. Formation of two hydrogen bonds between theappendages on furan and maleimide derivatives favors thermodynamically the formation of a molecularcomplex (MC1) through an efficient molecular recognition process. The large enthalpy stabilizationassociated with the molecular recognition overcomes the unfavorable activation entropy associated withthe bimolecular process. As a consequence, the subsequent DA reaction is clearly accelerated through apseudo-intramolecular process.
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