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The polarisability potential as a steric index
Author(s) -
Camacho Cristopher,
MataSegreda Julio F.
Publication year - 2010
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.1742
Subject(s) - chemistry , steric effects , substituent , reactivity (psychology) , computational chemistry , hydrolysis , organic chemistry , quantum chemical , medicinal chemistry , molecule , medicine , alternative medicine , pathology
The acid‐catalysed hydrolysis of carboxylic esters is the reference chemical reaction used for the empirical evaluation of steric effects. In this work, the polarisability potential (Hehre, et al ., J. Am. Chem. Soc . 1986 , 108 , 1711–1712) is identified as quantum‐mechanical size of substituent groups. Correlation is found between this quantity and reactivity features of the reference reaction. Copyright © 2010 John Wiley & Sons, Ltd.