Emerging d−d orbital coupling between non-d-block main-group elements Mg and I at high pressure

d−d orbital coupling, which increases anisotropic and directional bonding, commonly occurs between d-block transition metals. Here, we report an unexpected d−d orbital coupling in the non-d-block main-group element compound Mg(2)I based on first-principles calculations. The unfilled d orbitals of Mg...

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Detalles Bibliográficos
Autores principales: Liu, Yan, Cui, Tian, Li, Da
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9984552/
https://www.ncbi.nlm.nih.gov/pubmed/36879798
http://dx.doi.org/10.1016/j.isci.2023.106113

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9984552/
https://www.ncbi.nlm.nih.gov/pubmed/36879798
http://dx.doi.org/10.1016/j.isci.2023.106113

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