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Isokinetic relationships for S N Ar reactions in different solvents
Author(s) -
Vlasov Vladislav M.,
Kornakova Tatyana A.
Publication year - 2013
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.2954
Subject(s) - chemistry , nucleophile , benzene , value (mathematics) , computational chemistry , medicinal chemistry , organic chemistry , catalysis , machine learning , computer science
On the basis of the changes of the activation parameters δ Δ H int ≠and δ ∆ S ≠ and the statistically significant isokinetic and compensation temperatures, T iso and T comp , for the S N Ar reactions of the benzene derivatives with anionic and neutral nucleophiles at their structural variations in different solvents, the general isokinetic relationship δ Δ H int ≠versus ( T iso − T comp ) ⋅ δ ∆ S ≠ was found. The existence of this isokinetic relationship for a series of S N Ar reactions suggests the possibility to predict the T iso value or to interpret it when it is experimentally determined. Copyright © 2012 John Wiley & Sons, Ltd.