A new method to derive electronegativity from resonant inelastic x-ray scattering
- UPMC Univ Paris 06, UMR7614, Laboratoire de Chimie Physique-Matiere et Rayonnement, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)
- Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
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{sup -1}LUMO{sup 1} electronic states reached after Cl 1s{yields} LUMO core excitation and subsequent KL radiative decay. Based on an electron-density analysis of the LUMOs, the relative weights of the Cl 2p{sub z} atomic orbital contributing to the Cl 2p{sub 3/2} molecular spin-orbit components are shown to yield a linear electronegativity scale consistent with previous approaches.
- OSTI ID:
- 22099059
- Journal Information:
- Journal of Chemical Physics, Vol. 137, Issue 14; Other Information: (c) 2012 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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