uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
A new method to derive electronegativity from resonant inelastic x-ray scattering
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Show others and affiliations
2012 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 14, 144303- p.Article in journal (Refereed) Published
Abstract [en]

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(-1)LUMO(1) 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 2p(z) atomic orbital contributing to the Cl 2p(3/2) molecular spin-orbit components are shown to yield a linear electronegativity scale consistent with previous approaches.

Place, publisher, year, edition, pages
2012. Vol. 137, no 14, 144303- p.
Keyword [en]
electron density, electronegativity, molecular electronic states, spin-orbit interactions, X-ray scattering
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-187050DOI: 10.1063/1.4757065ISI: 000310302800014OAI: oai:DiVA.org:uu-187050DiVA: diva2:573617
Available from: 2012-12-03 Created: 2012-12-03 Last updated: 2012-12-03Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Piancastelli, Maria Novella
By organisation
Surface and Interface Science
In the same journal
Journal of Chemical Physics
Natural Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 294 hits
ReferencesLink to record
Permanent link

Direct link