Issue 46, 2022
From the journal:

Physical Chemistry Chemical Physics

Digitization of the electron shell via the localized orbital locator formalism: trends in the size and electronegativity changes of atoms across the periodic table†

Andrei V. Afonin, ORCID logo *a   Valentin A. Semenov ORCID logo a  and  Alexander V. Vashchenko ORCID logo a  

* Corresponding authors

a A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of Russian Academy of Sciences, 1 Favorsky St., 664033 Irkutsk, Russian Federation
E-mail: andvalaf@irioch.irk.ru

Abstract

The parameters of the (3, −3) critical point in the topology of the localized orbital locator inside the electron shell reveal patterns that make it possible to recognize trends in the size, electronegativity, and ionization energy of atoms in the first four periods of the periodic table.

Graphical abstract: Digitization of the electron shell via the localized orbital locator formalism: trends in the size and electronegativity changes of atoms across the periodic table

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Article information

DOI
https://doi.org/10.1039/D2CP04203G
Article type
Communication
Submitted
09 Sep 2022
Accepted
10 Nov 2022
First published
22 Nov 2022

Phys. Chem. Chem. Phys., 2022,24, 28127-28133

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Digitization of the electron shell via the localized orbital locator formalism: trends in the size and electronegativity changes of atoms across the periodic table

A. V. Afonin, V. A. Semenov and A. V. Vashchenko, Phys. Chem. Chem. Phys., 2022, 24, 28127 DOI: 10.1039/D2CP04203G

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