No van Vleck-type paramagnetism in In2ZrBr6

被引：2

作者：

Jansen, M ^{[1
]}

Wagner, N ^{[1
]}

Becker, M ^{[1
]}

Wedig, U ^{[1
]}

机构：

[1] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2000年 / 122卷 / 05期

关键词：

D O I：

10.1021/ja9927117

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The synthesis of In2ZrBr6 has been repeated via an alternative route, and by using thoroughly purified starting materials. These samples are diamagnetic (chi(mol) - 2.27 [10(-4) emu/mol]). Thus, previous claims that In2ZrBr6 would show a van Vleck-type paramagnetism are disproved. Based on structural data of better accuracy (single-crystal structure analysis: P4/mnc, 495 reflections, R-1 = 0.037) density functional band structure calculations were performed, which give no evidence for indirect coupling of In and Zr, mediated by bromine.

引用

页码：808 / 809

页数：2