Volume 3, number 2(a)

Theoretical Study of the Kinetic-Thermodynamic Competition between the σ-Complexes Obtained by the Reaction of the Methoxy Ion on the 7- Methyl 4-Nitro Benzofuroxan

Mohamed Ali Boughdiri, Outaf Fliss, Taoufik Boubaker and Bahoueddine Tangour

Unite de Recherche de Chimie Theorique et Reactivite. Institut Preparatoire aux Etudes d’Ingenieurs d’El Manar, Universite de Tunis-El Manar. BP244. 2096. El Manar II, Tunisia

ABSTRACT: Superelectrophilic compounds present interesting structural properties, chemical and biological behavior. A great number of most studied compounds include benzofuroxanic ring and differ by the substitution mode. DFT/B3LYP study have been performed in order to interpret the kinetic-thermodynamic competition between the σ-complexes obtained by the reaction of the methoxy ion on the 7- methyl 4-nitro benzofuroxane. Geometry, atomic charge distribution, thermodynamic parameters have been calculated for all possible products. The most unexpected result is to find that the most stable compound does not have been detected experimentally

KEYWORDS: Anticancer; Nitrobenzofuroxan (NBF); Mutagenicity; Superelectrophilic Compounds

Copy the following to cite this article:

Boughdiri M. A, Fliss O, Boubaker T, Tangour B. Theoretical Study of the Kinetic-Thermodynamic Competition between the σ-Complexes Obtained by the Reaction of the Methoxy Ion on the 7- Methyl 4-Nitro Benzofuroxan. Biosci Biotech Res Asia 2006;3(2a).
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Boughdiri M. A, Fliss O, Boubaker T, Tangour B. Theoretical Study of the Kinetic-Thermodynamic Competition between the σ-Complexes Obtained by the Reaction of the Methoxy Ion on the 7- Methyl 4-Nitro Benzofuroxan. Biosci Biotech Res Asia 2006;3(2a). Available from: https://bit.ly/30ISlwI

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