Quantum chemical study on the mechanism and selectivity of [3 + 2] cycloaddition reactions of aryl nitrile oxides with furanone

Abstract The mechanism, regio-, chemo-, diastereo-, stereo- and enantio-selectivity of the [3 + 2] cycloaddition reaction of aryl nitrile oxides with 5-acetoxy-2(5H)-furanone has been performed by means of several computational approaches, namely, activation and reaction energies, global electron de...
Ausführliche Beschreibung

Gespeichert in:
Autor*in:

Abdullah, Harun [verfasserIn]

Opoku, Ernest

Format:

E-Artikel

Sprache:

Englisch

Erschienen:

2022

Schlagwörter:

DFT calculations

[3 + 2] cycloadditions

GEDT

Chemoselectivity

Nitrile oxide

Anmerkung:

© The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Übergeordnetes Werk:

Enthalten in: Theoretical chemistry accounts - Berlin : Springer, 1962, 141(2022), 10 vom: 17. Sept.

Übergeordnetes Werk:

volume:141 ; year:2022 ; number:10 ; day:17 ; month:09

Links:

Volltext

DOI / URN:

10.1007/s00214-022-02915-4

Katalog-ID:

SPR048134228

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