In:
Angewandte Chemie, Wiley, Vol. 135, No. 7 ( 2023-02-06)
Abstract:
Physical properties of materials are mainly determined by valence electron configurations, where different valence shells would induce divergent phenomena. In compounds containing Sc 2+ , 3 d electron occupancy is expected, the same as other transition metal atoms like Ti 3+ . But this situation still awaits experimental verification in inorganic materials. Here, we selected ScS to measure the valence electron density and orbital population of Sc 2+ through delicate quantitative convergent‐beam electron diffraction. With the absence of 3 d orbital features around Sc‐atom sites and the nearly bare population of t 2g orbital, the unintuitive occupation of 4 s orbital in Sc 2+ is concluded. It should be the first time to report such a special electron configuration in a transition metal compound, in which 4 s rather than 3 d orbital is preferred. Our findings reveal the distinct behavior of Sc and probable ways to modulate material properties by controlling electron orbitals.
Type of Medium:
Online Resource
ISSN:
0044-8249
,
1521-3757
DOI:
10.1002/ange.202216898
Language:
English
Publisher:
Wiley
Publication Date:
2023
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514305-6
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505872-7
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1479266-7
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506259-7
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