ChemInform Abstract: Structure-Reactivity Cross Correlations in Nucleophilic Substitution: Isoparametricity and Transition-State Structure

ChemInform ◽  
2010 ◽  
Vol 31 (14) ◽  
pp. no-no
Author(s):  
I. V. Shpan'ko
Keyword(s):  
Transition State ◽  
Nucleophilic Substitution ◽  
State Structure ◽  
Transition State Structure ◽  
Cross Correlations ◽  
Abstract Structure

ρ as a quantitative measure of transition state structure

1979 ◽  
Vol 57 (3) ◽  
pp. 255-257 ◽  
Author(s):  
Bo-Long Poh
Keyword(s):  
Free Radicals ◽  
Hydrogen Atom ◽  
Transition State ◽  
Nucleophilic Substitution ◽  
Electrophilic Substitution ◽  
Quantitative Measure ◽  
Hydrogen Atom Abstraction ◽  
State Structure ◽  
Transition State Structure ◽  
Substitution Reactions

The values of the Brønsted exponent for several examples of nucleophilic substitution reactions, aromatic electrophilic substitution reactions, and hydrogen atom abstraction from toluene by free radicals have been calculated from the ρ values of the corresponding reactions. The magnitude of the Brønsted exponent is shown to indicate the degree of charge developed in the transition state structure.

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