Title: The polarisability potential as a steric index
Authors: Camacho, Cristopher
Mata-Segreda, Julio F.
應用化學系
應用化學系分子科學碩博班
Department of Applied Chemistry
Institute of Molecular science
Keywords: acid-catalysed ester hydrolysis;moment of inertia;polarisability potential;steric effect;Taft parameter;torsional barrier
Issue Date: 1-Oct-2010
Abstract: 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 (C) 2010 John Wiley & Sons, Ltd.
URI: http://dx.doi.org/10.1002/poc.1742
http://hdl.handle.net/11536/7012
ISSN: 0894-3230
DOI: 10.1002/poc.1742
Journal: JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
Volume: 23
Issue: 10
Begin Page: 955
End Page: 959
Appears in Collections:Conferences Paper


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