標題: | The polarisability potential as a steric index |
作者: | 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 |
關鍵字: | acid-catalysed ester hydrolysis;moment of inertia;polarisability potential;steric effect;Taft parameter;torsional barrier |
公開日期: | 1-十月-2010 |
摘要: | 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 |
期刊: | JOURNAL OF PHYSICAL ORGANIC CHEMISTRY |
Volume: | 23 |
Issue: | 10 |
起始頁: | 955 |
結束頁: | 959 |
顯示於類別: | 會議論文 |