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Elemental-sensitive Detection of the Chemistry in Batteries through Soft X-ray Absorption Spectroscopy and Resonant Inelastic X-ray Scattering
Published on: April 17, 2018
Experimentally quantifying small-molecule bond activation using valence-to-core X-ray emission spectroscopy.
Christopher J Pollock1, Katarzyna Grubel, Patrick L Holland
1Max-Planck-Institut für Chemische Energiekonversion, Stiftstrasse 34-36, D45470 Mülheim an der Ruhr, Germany.
Journal of the American Chemical Society
|July 19, 2013
Summary
Valence-to-core X-ray emission spectroscopy (XES) directly probes nitrogen (N2) bond activation by correlating peak energy with N-N bond length. This method effectively tracks N-N bond weakening in transition metal catalysis.
Area of Science:
- Inorganic Chemistry
- Materials Science
- Spectroscopy
Background:
- Nitrogen (N2) bond activation is crucial in transition metal catalysis.
- Directly monitoring N-N bond weakening during activation remains challenging.
Purpose of the Study:
- To establish valence-to-core X-ray emission spectroscopy (XES) as a direct method for probing N2 bond activation.
- To correlate XES spectral features with N-N bond characteristics.
Main Methods:
- Experimental investigation of a series of iron-N2 complexes.
- Measurement of valence-to-core X-ray emission spectroscopy (XES) spectra.
- Computational analysis of electronic structure and bonding.
Main Results:
- A specific valence-to-core XES peak energy was directly correlated with N-N bond length and stretching frequency.
- Computations revealed this peak originates from the N2 2s2s σ* orbital, sensitive to N-N bond weakening.
- The method can distinguish N-N bond length changes as small as 0.02 Å.
Conclusions:
- Valence-to-core XES is an effective and sensitive probe for small molecule activation, specifically N2 bond activation.
- This technique shows broad applicability in studying transition-metal mediated catalytic processes.
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