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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;
2001-01-01

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.
2001
The Organic Chemistry/Polymer Science category includes resources concerned with the related fields of organic chemistry and polymer science. The organic chemistry resources deal with compounds of carbon with the exception of certain simple ones, such as the carbon oxides, carbonates, cyanides and cyanates (see Inorganic & Nuclear Chemistry). This category includes research on synthetic and natural organic compounds that may include other elements, such as hydrogen and oxygen, but also nitrogen, halogens, sulphur and phosphorous. Resources concerned with hydrocarbons, organic compounds containing only the elements carbon and hydrogen, are also included in this category. Examples are the alkanes, alkenes, alkynes and aromatics, such as benzene and naphthalene. Polymer science includes all resources dealing with the study, production and technology of polymers, which are compounds composed of very large molecules made up of repeating molecular units (monomers). Polymers may be natural substances, such as polysaccharides or proteins, or synthetic materials, such as nylon or polyethylene.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
sì
WOS:000170730000021
2-s2.0-0034804004
Sì, ma tipo non specificato
Inglese
Internazionale
STAMPA
123
8366
8377
Quinone Methides; ALKYLATING AGENTS
4
info:eu-repo/semantics/article
262
DI VALENTIN, C; Freccero, Mauro; Zanaletti, R; SARZI AMADE', M.
1 Contributo su Rivista::1.1 Articolo in rivista
none
1.1 Articolo in rivista
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/108047
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