Is Mayenite without Clathrated Oxygen an Inorganic Electride?

Is Mayenite without Clathrated Oxygen an Inorganic Electride?

Yes or no? Mayenite without the clathrated oxygen can be classified as an inorganic electride based on combined charge‐density (see picture, A) and electron‐localization‐function (ELF) analysis (B). Ionic chemical bonds are found to form between extra electrons and the positively charged crystal fra...

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Veröffentlicht in:Angewandte Chemie International Edition 2004-12, Vol.43 (47), p.6479-6482
Hauptverfasser: Li, Zhenyu, Yang, Jinlong, Hou, J. G., Zhu, Qingshi
Format: Artikel
Sprache:eng
Schlagworte:
cage compounds
clathrates
computer chemistry
electrides
electronic structure
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Zusammenfassung:Yes or no? Mayenite without the clathrated oxygen can be classified as an inorganic electride based on combined charge‐density (see picture, A) and electron‐localization‐function (ELF) analysis (B). Ionic chemical bonds are found to form between extra electrons and the positively charged crystal framework in this material.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200461200