Quantitative determination of the total local polarity (charge separation) in molecules
- 20 June 1992
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 76 (3) , 609-617
- https://doi.org/10.1080/00268979200101561
Abstract
We introduce a polarity index Π that is proposed as a measure of the charge separation in a molecule. Π can be viewed as the average deviation of the electrostatic potential on the surface of the molecule. It permits a quantitative assessment of total local polarity, even in a molecule that has zero dipole moment. In support of our formulation of Π, we show that it is related to an empirical polarity-polarizability parameter and also to the dielectric constant.Keywords
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