NISCAIR Online Periodicals Repository

NISCAIR ONLINE PERIODICALS REPOSITORY (NOPR)  >
NISCAIR PUBLICATIONS >
Research Journals >
Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.47A [2008] >
IJC-A Vol.47A(02) [February 2008] >


Title: Computational studies and reactivity of nucleophiles in benzylation reactions
Authors: Reddy, S Ranga
Kalyani, P
Rao, B Rajeswara
Manikyamba, P
Issue Date: Feb-2008
Publisher: CSIR
Abstract: The nucleophilic substitution reactions of benzyl bromide using 2-mercapto benzimidazole, 2-mercaptobenzoxazole and 2-mercaptobenzothiazole as nucleophiles have been studied in methanol and acetone media. The higher reactivity of 2-mercaptobenzimidazole is attributed to the presence of two nitrogen atoms holding a pair of electrons on either side of the >C=S group. The heat of formation, Δ Hf, computed from AM1 studies indicates that the reactivity of the nucleophiles is related to Δ Hf, and HOMO-LUMO gap of the nucleophile.
Page(s): 236-239
ISSN: 0376-4710
Source:IJC-A Vol.47A(02) [February 2008]

Files in This Item:

File Description SizeFormat
IJCA 47A(2) (2008) 236-239.pdf65.63 kBAdobe PDFView/Open
 Current Page Visits: 583 
Recommend this item

 

National Knowledge Resources Consortium |  NISCAIR Website |  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 © 2012 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: 584011 since 06-Feb-2009  Last updated on 15-Sep-2014Webmaster: nopr@niscair.res.in