NISCAIR Online Periodicals Repository

Research Journals >
Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.45B [2006] >
IJC-B Vol.45B(01) [January 2006] >

Title: Hard-soft acid-base (HSAB) principle and difference in d-orbital configurations of metals explain the regioselectivity of nucleophilic attack to a carbinol in Friedel-Crafts reaction catalyzed by Lewis and protonic acids
Authors: Panda, Gautam
Mishra, Jitendra K
Dinadayalane, T C
Sastry, G Narahari
Negi, Devendra S
Keywords: Nucleophile
Friedel-Crafts reaction
HSAB principle
tight-ion pair
Issue Date: Jan-2006
Publisher: CSIR
IPC CodeInt.Cl.7 C 07 C
Abstract: The alkylations of aromatic compounds in presence of protonic acids yield two alkylated products arising from attack of a nucleophile (hard or soft) at two different carbocation (hard or soft) centers of a single compound. Hybrid density functional theory at B3LYP/6-31G* and B3LYP/6-31G levels and semiempirical calculations are employed to explain the observed trends in Friedel-Crafts reaction. Local HSAB principle based on local softness values explains the observed experimental reactivities.
Page(s): 276-287
ISSN: 0975-0983(Online); 0376-4699(Print)
Source:IJC-B Vol.45B(01) [January 2006]

Files in This Item:

File Description SizeFormat
IJCB 45B(1) 276-287.pdf191.73 kBAdobe PDFView/Open
 Current Page Visits: 112 
Recommend this item


Online Submission of Articles |  NISCAIR Website |  National Knowledge Resources Consortium |  Contact us |  Feedback

Disclaimer: NISCAIR assumes no responsibility for the statements and opinions advanced by contributors. The editorial staff in its work of examining papers received for publication is helped, in an honorary capacity, by many distinguished engineers and scientists.

CC License Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India

Copyright © 2015 The Council of Scientific and Industrial Research, New Delhi. All rights reserved.

Powered by DSpace Copyright © 2002-2007 MIT and Hewlett-Packard | Compliant to OAI-PMH V 2.0

Home Page Total Visits: 163248 since 01-Sep-2015  Last updated on 21-Jun-2016Webmaster: