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Experimental evidence is reported for the first intermediate in the classic SEAr reaction of benzene nitration with mixed acid. The UV/Vis spectroscopic investigation of the reaction showed an intense absorption at 320 nm (appearing as a band shoulder) arising from a reaction intermediate. Our theoretical modeling shows that the interaction between the two principal reactants with solvent (H2SO4)...
Tauziehen: Die gründliche Untersuchung der Reaktionsmechanismen mit DFT‐Rechnungen ergab, dass die Barrieren für die Addition von Br2 an Benzol, Naphthalin, Anthracen und Phenanthren isoliert (d. h. ohne Katalysatoren, siehe Bild) und in simulierter CCl4‐Lösung sogar niedriger sein können als die Barrieren für die direkte Substitution. Zudem kann Substitution auch aus schrittweiser Br2‐Addition und...
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