• Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/117/01/0061-0065

    • Keywords

       

      Electrophilicity; Hammett constant; NICS (1); reactivity; QSAR

    • 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.

    • Author Affiliations

       

      M Elango1 R Parthasarathi1 G Karthik Narayanan2 A Md Sabeelullah2 U Sarkar3 N S Venkatasubramaniyan2 V Subramanian1 P K Chattaraj3

      1. Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai - 600 020, India
      2. Department of Physics, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, India
      3. Department of Chemistry, Indian Institute of Technology, Kharagpur - 721 302, India
    • Dates

       
  • Journal of Chemical Sciences | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.