Elango, M. ; Parthasarathi, R. ; Karthik Narayanan, G. ; Sabeelullah, A. Md. ; Sarkar, U. ; Venkatasubramaniyan, N. S. ; Subramanian, V. ; Chattaraj, P. K. (2005) Relationship between electrophilicity index, Hammett constant and nucleus-independent chemical shift Journal of Chemical Sciences, 117 (1). pp. 61-65. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/chemsci/Pdf-Jan2005/61.pdf
Related URL: http://dx.doi.org/10.1007/BF02704362
Abstract
Inter-relationships between the electrophilicity index (Ω), Hammett constant (óp @#@) and nucleusindependent chemical shift (NICS (1) - NICS value one ångstrom above the ring centre) have been investigated for a series of meta- and para-substituted benzoic acids. Good linear relationships between Hammett constant vs electrophilicity and Hammett constant vs NICS (1) values have been observed. However, the variation of NICS (1) against CO shows only a low correlation coefficient.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Electrophilicity; Hammett Constant; NICS (1); Reactivity; QSAR |
| ID Code: | 71207 |
| Deposited On: | 24 Nov 2011 09:00 |
| Last Modified: | 18 May 2016 17:01 |
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