A New Method to Derive Electronegativity from Resonant Inelastic X-ray Scattering

Authors

Stephane Carniato, University of Paris
Loic Journel, University of Paris
Renaud Guillemin, University of ParisFollow
Maria Novella Piancastelli, Uppsala UniversityFollow
Wayne C. Stolte, University of Nevada, Las VegasFollow
Dennis W. Lindle, University of Nevada, Las VegasFollow
Marc Simon, University of ParisFollow

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

Repository Citation

Carniato, S., Journel, L., Guillemin, R., Piancastelli, M. N., Stolte, W. C., Lindle, D. W., Simon, M. (2012). A New Method to Derive Electronegativity from Resonant Inelastic X-ray Scattering. Journal of Chemical Physics 1-13.
https://digitalscholarship.unlv.edu/chem_fac_articles/86