Document Type

Article

Publication Date

2012

Publication Title

Journal of Chemical Physics

First page number:

1

Last page number:

13

Abstract

Electronegativity is a well-known property of atoms and substituent groups. Because there is no direct way to measure it, establishing a useful scale for electronegativity often entails correlating it to another chemical parameter; a wide variety of methods have been proposed over the past 80 years to do just that. This work reports a new approach that connects electronegativity to a spectroscopic parameter derived from resonant inelastic x-ray scattering. The new method is demonstrated using a series of chlorine-containing compounds, focusing on the Cl 2p−1LUMO1 electronic states reached after Cl 1s→LUMO core excitation and subsequent KL radiative decay. Based on an electron-density analysis of the LUMOs, the relative weights of the Cl 2pz atomic orbital contributing to the Cl 2p3/2 molecular spin-orbit components are shown to yield a linear electronegativity scale consistent with previous approaches.

Keywords

Chlorine compounds; Electronegativity – Measurement; X-rays – Scattering

Disciplines

Biological and Chemical Physics | Chemistry | Physics

Language

English

Identifier

DOI: http://dx.doi.org/10.1063/1.4757065

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