Related Experiment Video
Updated: Aug 7, 2026

A New Straightforward Method for Lipophilicity (logP) Measurement using 19F NMR Spectroscopy
Published on: January 30, 2019
Are the local electrophilicity descriptors reliable indicators of global electrophilicity trends?
Ram Kinkar Roy1, V Usha, Jozef Paulovic
1Department of Chemistry, Birla Institute of Technology and Science (BITS), Pilani-333031, Rajasthan, India. rkroy@bits-pilani.ac.in
Abstract:
Density functional theory based global and local electrophilicity descriptors are used to study the reliability of local electrophilicity values of the strongest electrophilic sites in generating global intermolecular electrophilicity trends. The evaluated values on 15 different organic chlorides show that, for systems having more than one comparatively strong electrophilic site, the local electrophilicity value of the strongest site does not produce a reliable global intermolecular electrophilicity trend. But for systems having one distinctly strong electrophilic site it does. The analytical explanation in favor of the above observation is also provided. Thus, what was argued in an earlier study (Roy, R. K. J. Phys. Chem. 2004, 108, 4934) is established strongly by numerical demonstrations as well as analytical reasoning in the present one.
Related Concept Videos
Electrophiles
While a positive electrophile, like a proton, reacts due to its vacant, low-energy 1s orbital, the...
Electronegativity
Relative Reactivity of Carboxylic Acid Derivatives
A key factor in assessing the reactivity of the acid derivatives is the basicity of the substituent or the leaving group. The lower the basicity of the leaving group, the higher the reactivity of the derivative. The basicity of the leaving group follows this order:
Halide ions < Acyloxy ions < Alkoxy ions < Amine ions
π Electron Effects on Chemical Shift: Overview
Inductive Effects on Chemical Shift: Overview
Nucleophiles

