Conductance Study of Benzyl Bromide Reaction with Cyclicamines in Aqueous-Ethanol Medium

  • Authors

    • Veerati Radhika
    • . .
    2018-06-21
    https://doi.org/10.14419/ijet.v7i3.3.14508
  • Benzylaton, Correlation Solvolysis, Frontier molecular orbital interactions, Ion-solvation, HOMO-LUMO break.

  • Nucleophilic substitution reaction of benzyl bromide and cyclicamines in ethanol aqueous intermediate reactivity can suggest that the nucleophile increases through their pKa values. A linear correlation exists between computed values of the dipole moment, rate and electronegativity of the nucelophiles. The two reactants suggest that frontier molecular orbital interactions ion-solvation and correlation of time with the HOMO-LUMO breach of that the reaction.  But it is not orbital controlled as well as forbidden by the electrostatic interactions along with mixed solvent composition between the reactants. The influence on the solvation of ions before reaction has been discuss with facilitate by R-factor. Thermodynamic properties are evaluate and report. The consequences of the learning to be interpreted in terms of ion-solvent exchanges and solvent properties comparing with electrostatic interaction between the reactants.

     

     

     

  • References

    1. [1] Gregory C. Fu., “Transition-Metal Catalysis of Nucleophilic Substitution Reactions: A Radical Alternative to SN1 and SN2 Processesâ€, ACS Cent Sci., Vol.3, No.7, (2017), pp. 692–700.

      [2] Mauritz J. Ryding, Andrea Debnárová, Israel Fernández, and Einar Uggerud, “Nucleophilic Substitution in Reactions between Partially Hydrated Superoxide Anions and Alkyl Halidesâ€, J. Org. Chem., Vol.80, No.12, (2015), pp 6133–6142.

      [3] Cemil Ibis, Ahmed Hassen Shntaif, Hakan Bahar And Sibel Sahinler Ayla, “An investigation of nucleophilic substitution reactions of 2,3-dichloro-1,4-naphthoquinone with various nucleophilic reagentsâ€, J. Serb. Chem. Soc., Vol.80, No.6, (2015), 731–738.

      [4] Melania Gómezâ€Martínez, Dr. Alejandro Baeza ., “Pinacol Rearrangement and Direct Nucleophilic Substitution of Allylic Alcohols Promoted by Graphene Oxide and Graphene Oxideâ€, Chemcatchem., Vol .No.6, (2015), pp.1032-1039.

      [5] Magda F. Fathalla and Ezzat A. Hamed., “Kinetics of the nucleophilic substitution reactions of methyl 2,4-dichloro-3,5-dinitrobenzoate with piperidine, piperazine, morpholine and thiomorpholine in methanol and benzeneâ€, Journal of Chemical Research,Vol. 4, ( 2006), pp. 413-416.

      [6] Mateusz Snamina, Grzegorz Mazur, Piotr Petelenz., “Partial atomic multipoles for internally consistent microelectrostatic calculationsâ€, Journal of computational chemistry, Vol.38, Issue28, (2017), pp. 2420-2429.

      [7] Karin Kiewisch, Christoph R. Jacob, and Lucas Visscher., “Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theoryâ€, Chem. Theory Comput. Vol.9, No.5, (2013), pp.2425–2440.

      [8] Hongyi Hu and Theodore S. Dibble., “Quantum Chemistry, Reaction Kinetics, and Tunneling Effects in the Reaction of Methoxy Radicals with O2â€, J. Phys. Chem. A, Vol. 117, No.51, (2013), pp 14230–14242.

      [9] Brahmanapally Kavitha, Prerepa Manikyamba., “Solvation models in the reaction between phenacyl bromide and mercaptobenzimidazoleâ€, journal of sulphur chemistry, Vol. 2, (2010), pp 103-108.

      [10] Lange’s Hand book of Chemistry 1992 14th Edn, edited by J A Dean (New York: Mc Graw Hill).

      [11] Stewart J J P, 1988 MOPAC A general Molecular Orbital Package, 5th Edn (QCPE) 455.

      [12] Hasan Uslu., “Linear Solvation Energy Relationship (LSER) Modeling and Kinetic Studies on Propionic Acid Reactive Extraction Using Alamine 336 in a Toluene Solutionâ€, Ind. Eng. Chem. Res., Vol.45, No.16, pp.5788–5795.

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  • How to Cite

    Radhika, V., & ., . (2018). Conductance Study of Benzyl Bromide Reaction with Cyclicamines in Aqueous-Ethanol Medium. International Journal of Engineering & Technology, 7(3.3), 143-145. https://doi.org/10.14419/ijet.v7i3.3.14508