Title of article
Relationship between electrophilicity index, Hammett constant and nucleus-independent chemical shift
Author/Authors
Sarkar، U. نويسنده , , CHATTARAJ، P K نويسنده , , SUBRAMANIAN، V نويسنده , , PARTHASARATHI، R نويسنده , , ELANGO، M. نويسنده , , NARAYANAN، G.KARTICK نويسنده , , SABEELULLAH، A.MD نويسنده , , VENKATASUBRAMANIYAN2، N.S. نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
5
From page
61
To page
65
Abstract
Inter-relationships between the electrophilicity index (w), Hammett constant (óp) and nucleusindependent chemical shift (NICS (1) – NICS value one å ngstrom 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 w shows only a low correlation coefficient.
Keywords
electrophilicity , QSAR , Hammett constant , NICS (1)
Journal title
Journal of Chemical Sciences
Serial Year
2005
Journal title
Journal of Chemical Sciences
Record number
121987
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