Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy

Author:

Ramasami Ponnadurai12ORCID,Murray Jane S.3ORCID

Affiliation:

1. Computational Chemistry Group Department of Chemistry Faculty of Science, University of Mauritius Reduit 80837 Mauritius

2. Centre of Natural Product Research Department of Chemical Sciences University of Johannesburg, Doornfontein Campus Johannesburg 2028 South Africa

3. Department of Chemistry University of New Orleans, New Orleans LA 70148 USA

Abstract

AbstractIn this paper we revisit earlier work relating to monoatomic atoms and ions published by pioneers in the area of electrostatic potentials. We include plots of the radial distributions of the electrostatic potentials for spherically symmetric atoms and cations, and for singly, doubly and triply negative anions. For atoms with anisotropy in their densities and electrostatic potentials, such as the halonium cations, it is shown how the molecular surface approach for plotting electrostatic potentials complements that achieved by directional radial distributions.

Publisher

Wiley

Reference78 articles.

1. E. Scrocco J. Tomasi InNew Concepts II. Topics in Current Chemistry Springer-Verlag Berlin 1973 42 95–170.

2. Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials

3. P. Politzer K. C. Daiker InThe Force Concept in Chemistry (Ed: B. M. Deb) Van Nostrand Reinhold New York 1981 ch. 6.

4. On the mapping of electrostatic properties from bragg diffraction data

5. P. Politzer D. G. Truhlar Eds. Chemical Applications of Atomic and Molecular Electrostatic Potentials Plenum Press New York 1981.

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