The reactivity of the alkylating agent o-quinone methide (o-QM) toward NH3, H2O, and H2S, prototypes of nitrogen-, oxygen-, and sulfur-centered nucleophiles, has been studied by quantum chemical methods in the frame of DF theory (B3LYP) in reactions modeling its reactivity in water with biological nucleophiles.
o-Quinone Methide as Alkylating Agent of Nitrogen, Oxygen and Sulfur Nucleophiles. The Role of H-bonding and Solvent Effects on the Reactivity through a DFT Computational Study
FRECCERO, MAURO;
2001
Abstract
The reactivity of the alkylating agent o-quinone methide (o-QM) toward NH3, H2O, and H2S, prototypes of nitrogen-, oxygen-, and sulfur-centered nucleophiles, has been studied by quantum chemical methods in the frame of DF theory (B3LYP) in reactions modeling its reactivity in water with biological nucleophiles.File in questo prodotto:
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