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
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Sprache:eng
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cage compounds
clathrates
computer chemistry
electrides
electronic structure
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creator Li, Zhenyu
Yang, Jinlong
Hou, J. G.
Zhu, Qingshi
description 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.
doi_str_mv 10.1002/anie.200461200
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subjects cage compounds
clathrates
computer chemistry
electrides
electronic structure
title Is Mayenite without Clathrated Oxygen an Inorganic Electride?
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