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EnglishThe 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 / DI VALENTIN C; M. FRECCERO; ZANALETTI R; SARZI-AMADE' M. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 123(2001), pp. 8366-8377.
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| Titolo: | 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 |
| Autori: | |
| Data di pubblicazione: | 2001 |
| Rivista: | |
| Citazione: | 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 / DI VALENTIN C; M. FRECCERO; ZANALETTI R; SARZI-AMADE' M. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 123(2001), pp. 8366-8377. |
| 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. |
| Handle: | http://hdl.handle.net/11571/108047 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
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