SPECTRAL-MOMENT CONSTRAINTS ON ELECTRIDE-ELECTRON LOCATIONS IN THE CRYSTALLINE ELECTRIDE [CS(18-CROWN-6)2]

被引：10

作者：

GOLDEN, S ^{[1
]}

TUTTLE, TR ^{[1
]}

机构：

[1] BRANDEIS UNIV,DEPT CHEM,WALTHAM,MA 02254

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.45.13913

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The inverse-first moment and the first moment of the observed optical-absorption spectrum of the crystalline electride [Cs(18-crown-6)2] [where (18-crown-6) is (CH2CH2O)6] are used to determine rigorous upper and lower bounds for the absolute maximum of the single-particle probability density of a typical constituent electride electron. These bounds sufficiently bracket the contact densitites that are determined from magic-angle-spinning Cs-133-NMR spectra of the pure electride and of its mix-crystals with the isomorphous sodide, [Cs(18-crown-6)2Na], to indicate that the distribution of the electron most likely is located in the immediate vicinity of a cesium nucleus. Limitations on the number of Cs-133-NMR absorptions in sodide-electride mix-crystals are shown to support such a location.

引用

页码：13913 / 13918

页数：6

共 19 条

[1] WHY DO THE ELECTRONS PLAY THE ROLE OF ANIONS IN THE ELECTRIDES [J].