Acta Scientific Pharmacology

Research Article Volume 3 Issue 7

A New Approach to Find Out the Correlation Between Nucleophilicity Index (N) and Hammett Constant

Poonam Yadav1, Hiteshi Tandon1*, Babita Malik1 and Tanmoy Chakraborty2

1Department of Chemistry, Manipal University Jaipur, Jaipur, Rajasthan, India
2Department of Chemistry and Biochemistry, School of Basic Sciences and Research Sharda University, Greater Noida 201310, Uttar Pradesh, India

*Corresponding Author: Tanmoy Chakraborty, Department of Chemistry and Biochemistry, School of Basic Sciences and Research Sharda University, Greater Noida 201310, Uttar Pradesh, India.

Received: June 02, 2022; Published: June 22, 2022

Abstract

Nucleophilicity index (N) is a Conceptual Density Functional Theory-based reactivity descriptor which is used to define variety of physicochemical behaviours. Nucleophilicity index (N) is a measure of the electron donating power of an atom, molecule or ion and it is the inverse of electrophilicity index (ω) which is the electron attracting power of the species. In the present work we made an attempt to find out a correlation between Nucleophilicity index (N) and Hammett constant σp for 32CA reactions of a series of aromatic azides and alkynes, for this purpose we used a theoretical model to describe the Hammett substituent constants σp in terms of the nucleophilicity index (N). We have selected the B3LYP/6-31G(d) level of theory in most of the scales of the reactivity indices. We found a good linear correlation between them. The nucleophilic activation/deactivation is explained by theoretical scale of reactivity very nicely.

Keywords: Electrophilicity Index; Nucleophilicity Index; Hammett Constant

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Citation

Citation: Tanmoy Chakraborty., et al. “A New Approach to Find Out the Correlation Between Nucleophilicity Index (N) and Hammett Constant". Acta Scientific Pharmacology 3.7 (2022): 13-16.

Copyright

Copyright: © 2022 Hiteshi Tandon., et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.




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