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EPR study of NaCl: CO2 ? and NaCl : SO2 ?

Authors: Peter D. Moens; Sabine E. Van Doorslaer; Freddy J. Callens; Filiep R. Maes; Paul F. Matthys; Johan M. D'Heer;

EPR study of NaCl: CO2 ? and NaCl : SO2 ?

Abstract

Two new triatomic molecular ions with C2v symmetry i.e. CO2– and SO2– have been detected in NaCl by means of EPR. By analysing the 13C hyperfine tensor of the CO2– radical the spin densities in the 2s and 2pz carbon atomic orbitals can be calculated. Since the 14N hyperfine tensor of the isoelectronic NO2 molecule in the same host lattice is also known, a comparison between the spin densities in both defects can be made. In addition, the spin densities for both defects are calculated using ab initio methods and are compared with the experimental results.As is the case for the smaller CO2– ion, the SO2– radical is assumed to substitute for only one halide ion. The monovacancy model for the SO2– ion is discussed. Such a model is in accordance with that for the smaller ozonide O3– ion. On the other hand, the larger S3 and Se3– ions occupy a trivacancy site.

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Powered by OpenAIRE graph
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
4
Average
Average
Average
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