Contribution of 43Ca MAS NMR for probing the structural configuration of calcium in glass

被引：80

作者：

Angeli, Frederic ^{[1
]}

Gaillard, Marina

Jollivet, Patrick

Charpentier, Thibault

机构：

[1] CEA Valrho, SECM, DTCD, DEN,Lab Etud Comportement Long Terme, F-30207 Bagnols Sur Ceze, France

[2] CEA Saclay, SCM, DRECAM, DSM,Lab Struct & Dynam Resonance Magnet, F-91191 Gif Sur Yvette, France

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 440卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2007.04.036

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Ca-43 MAS NMR spectra obtained for three calcium silicate glasses containing aluminum and/or sodium are analyzed. The Ca-43 NMR parameters are shown to be highly sensitive to variations in its chemical environment. The transition from a charge-compensating role of [AlO4](-) groups to a network-modifying role near nonbridging oxygen atoms results in an increase of both the isotropic chemical shift and the quadrupolar coupling constant of Ca-43. This effect can be related to the first coordination shell of calcium (through the Ca-O bond distance) which is affected by the chemical environment beyond the first neighbors of calcium. (c) 2007 Elsevier B.V. All rights reserved.

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页码：324 / 328

页数：5

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