Chemical bonding and Mossbauer spectroscopic investigations on ternary polyphosphides AgSbP14, [Ag3Sn]P7 and [Au3Sn]P7

被引：13

作者：

Weihrich, Richard ^{[1
]}

Lange, Stefan ^{[2
]}

Nilges, Tom ^{[2
]}

机构：

[1] Univ Regensburg, Inst Anorgan Chem, D-93040 Regensburg, Germany

[2] Univ Munster, Inst Anorgan & Analyt Chem, D-48149 Munster, Germany

来源：

SOLID STATE SCIENCES | 2009年 / 11卷 / 02期

关键词：

Heterocluster; Polyphosphides; LCAO-DFT calculations; Band structures; Mossbauer spectroscopy; CRYSTAL-STRUCTURE; BLACK PHOSPHORUS; SN-119; MOSSBAUER; ISOMER-SHIFTS; INTERMETALLIC COMPOUNDS; HGPBP14-TYPE STRUCTURE; CHARGE-TRANSFER; CHEMISTRY; LITHIUM; GOLD;

D O I：

10.1016/j.solidstatesciences.2008.09.005

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The present manuscript is dealing with chemical bonding and Mossbauer spectroscopic investigations on the coinage-metal polyphosphides AgSbP14, [Ag3Sn]P-7 and [Au3Sn]P-7. Sb(Ill) has been identified in the HgPbP14-type compound AgSbP14 by Mossbauer spectroscopic experiments, representing the first P-14-polyphosphide with the cation combination M+(Ag)/M'(3+)(Sb). A combined spectroscopic and theoretical approach using various methods is applied to semi-conducting [Ag3Sn]P-7 and [Au3Sn]P-7 to characterize the metalloid [M3Sn] clusters coordinated to the P-network. Sn-5s electron densities, electric field gradients and effective charges were calculated by DFT methods and are discussed in relation to the Mossbauer data. (c) 2008 Elsevier Masson SAS. All rights reserved.

引用

页码：519 / 527

页数：9

共 17 条

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