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
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
Journal title :
Journal of Chemical Sciences