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The problem of competition between concerted and stepwise diradical mechanisms in 1,3-dipolar cycloadditions was addressed by studying the reaction between nitrone and ethene with DFT (R(U)B3LYP/6-31G*) and post HF methods. According to calculations this reaction should take place via the concerted cycloaddition path

Concerted vs Stepwise Mechanism in 1,3-dipolar Cycloaddition of Nitrone to Ethene, Cyclobutadiene and Benzocyclobutadiene. A Computational Study.

FRECCERO, MAURO;GANDOLFI, REMO;
2000-01-01

Abstract

The problem of competition between concerted and stepwise diradical mechanisms in 1,3-dipolar cycloadditions was addressed by studying the reaction between nitrone and ethene with DFT (R(U)B3LYP/6-31G*) and post HF methods. According to calculations this reaction should take place via the concerted cycloaddition path
2000
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 ORGANIC CHEMISTRY
sì
WOS:000089338600031
2-s2.0-0034703407
Sì, ma tipo non specificato
Inglese
Internazionale
STAMPA
65
6112
6120
reaction mechanism; Dipolar cycloadditions
4
info:eu-repo/semantics/article
262
DI VALENTIN, C.; Freccero, Mauro; Gandolfi, Remo; Rastelli, A.
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/11571/133511
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