Solvation models in the reaction between benzyl bromide and diphenyl amine
S. Ranga Reddy, P. Manikyamba
Abstract
S. Ranga Reddy, P. Manikyamba
Abstract
The effect of different protic and dipolar aprotic solvents on the rate of the reaction between allylbromide and diphenylamine has been studied. Correlation of the rate constants with different solvent parameters indicates that the polarity (Y), polarisability (P) and electrophilicity (E) of the solvent simultaneously influence the rate and solvation of the reactants and transition state is due to these properties of the solvent. nature. These interactions primarily occur when a solvent interacts with the solute, by donating or accepting an electron pair or by forming hydrogen bonds. The intensities of these interactions are measured in terms of electrophilicity (E) 3 , nucleophilicity (B) 3 , hydrogen bond donor ability (α) 4 and hydrogen bond acceptor ability (β) 4 of the solvent. In addition to these interactions, all the solvents are able to interact with the reactants and transition state non-specifically due to coulombic and inductive forces. These are long range forces and the intensities of these interactions are measured in terms of polarity (Y) 5 and polarisability (P) 5 of the solvent. So the general term polarity of the solvent means the overall solvation ability of the solvent due to either all or some of these properties. Hence the effect of solvent on reaction rate has to be represented not by a single parameter equation but by a multiparametric equation 6 according to equation 1 log k = log k0 + yY + pP + bB + eE ……….
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The effect of different protic and dipolar aprotic solvents on the rate of the reaction between allylbromide and diphenylamine has been studied. Correlation of the rate constants with different solvent parameters indicates that the polarity (Y), polarisability (P) and electrophilicity (E) of the solvent simultaneously influence the rate and solvation of the reactants and transition state is due to these properties of the solvent. nature. These interactions primarily occur when a solvent interacts with the solute, by donating or accepting an electron pair or by forming hydrogen bonds. The intensities of these interactions are measured in terms of electrophilicity (E) 3 , nucleophilicity (B) 3 , hydrogen bond donor ability (α) 4 and hydrogen bond acceptor ability (β) 4 of the solvent. In addition to these interactions, all the solvents are able to interact with the reactants and transition state non-specifically due to coulombic and inductive forces. These are long range forces and the intensities of these interactions are measured in terms of polarity (Y) 5 and polarisability (P) 5 of the solvent. So the general term polarity of the solvent means the overall solvation ability of the solvent due to either all or some of these properties. Hence the effect of solvent on reaction rate has to be represented not by a single parameter equation but by a multiparametric equation 6 according to equation 1 log k = log k0 + yY + pP + bB + eE ……….
Key concepts: Chemistry, Solvation, Solvent, Solvent effects, Hydrogen bond, Computational chemistry, Bromide, Nucleophile