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Information Journal Paper

Title

AB INITIO STUDY OF SIMPLE MG-ENE REACTIONS OF PROPENYL MAGNESIUM HALIDES AND ETHYLENE (TYPE-1 INTERMOLECULAR REACTION)

Author(s)

 RAJAEIAN ELAHE | TAHERPOUR AVAT (ARMAN) | Issue Writer Certificate 

Pages

  1-9

Abstract

 The insertion of an olefinic C=C bond into a metal-carbon bond is of potential interest as a preparative route to new products and as results of C-C coupling reactions to organic compounds. The allyl compounds of Mg, react with an olefin by inversion of the allyl group via a six center transition state. These precyclic reactions may be one of the most important classes of organic reactions. The reactions of C3H5MgX (X=F, Cl, Br, I) with ethylene will be discussed in light of computational studies usingab initio methods (RHF/6-31G*//RHF/6-31G* level). The investigation of the structural properties, theoretical thermodynamic and kinetic data i.e. DrG, DG# and rate constants of the reactions at 298oK will be presented.

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    APA: Copy

    RAJAEIAN, ELAHE, & TAHERPOUR, AVAT (ARMAN). (2011). AB INITIO STUDY OF SIMPLE MG-ENE REACTIONS OF PROPENYL MAGNESIUM HALIDES AND ETHYLENE (TYPE-1 INTERMOLECULAR REACTION). JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, 8(1), 1-9. SID. https://sid.ir/paper/207706/en

    Vancouver: Copy

    RAJAEIAN ELAHE, TAHERPOUR AVAT (ARMAN). AB INITIO STUDY OF SIMPLE MG-ENE REACTIONS OF PROPENYL MAGNESIUM HALIDES AND ETHYLENE (TYPE-1 INTERMOLECULAR REACTION). JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY[Internet]. 2011;8(1):1-9. Available from: https://sid.ir/paper/207706/en

    IEEE: Copy

    ELAHE RAJAEIAN, and AVAT (ARMAN) TAHERPOUR, “AB INITIO STUDY OF SIMPLE MG-ENE REACTIONS OF PROPENYL MAGNESIUM HALIDES AND ETHYLENE (TYPE-1 INTERMOLECULAR REACTION),” JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, vol. 8, no. 1, pp. 1–9, 2011, [Online]. Available: https://sid.ir/paper/207706/en

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