Solvent Effects on the 9-Hydroxymethylanthracene + <i>N</i>-Ethylmaleimide Diels−Alder Reaction. A Theoretical Study José I. García José A. Mayoral Luis Salvatella 10.1021/jo048257t.s001 https://acs.figshare.com/articles/journal_contribution/Solvent_Effects_on_the_9_Hydroxymethylanthracene_i_N_i_Ethylmaleimide_Diels_Alder_Reaction_A_Theoretical_Study/3300442 The origin of the high reaction rates of the 9-hydroxymethylanthracene + <i>N</i>-ethylmaleimide Diels−Alder reaction in fluorous solvents and supercritical carbon dioxide is analyzed through a combination of regression analyses and theoretical calculations. Both approaches allow the solvent effects on the activation barrier (a decrease by solvophobic interactions, an increase by dipolarity−polarizability) to be attributed to the existence of a hydrogen bond between the two reactants in the transition state, refuting a previous hypothesis based on strong solvophobic interactions. 2005-02-18 00:00:00 origin reactants Hydroxymethylanthracene calculation fluorou solvophobic interactions solvent Theoretical Ethylmaleimide hydroxymethylanthracene barrier dipolarity regression Diel dioxide activation ethylmaleimide combination refuting Solvent analyses approach transition hypothesis bond