CHARGE-TRANSFER WITHIN ZINTL IONS IN LIQUID METALLIC ALLOYS - A CLUSTER STUDY

被引：6

作者：

DIEZ, RP ^{[1
]}

INIGUEZ, MP ^{[1
]}

ALONSO, JA ^{[1
]}

ARAMBURU, JA ^{[1
]}

机构：

[1] UNIV CANTABRIA, DCITYM, E-39005 SANTANDER, SPAIN

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 330卷

关键词：

D O I：

10.1016/0166-1280(94)03849-G

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：

Self-consistent field multiple scattering X alpha calculations of the electronic structure of Na4Pb4, K4Pb4 and Rb4Pb4 clusters have been performed in order to investigate the charge transfer process from the alkali atoms to the lead atoms. The structure assumed is that of an inner Pb-4 tetrahedron surrounded by another, larger tetrahedron in which the alkali atoms lake positions opposite to the faces of the Pb-4 unit. The total charge transfer to Pb-4 is about two electrons, half the amount normally assumed in the Zintl ion model of these clusters in solid and liquid alloys.

引用

页码：267 / 272

页数：6

共 21 条

[1] STRUCTURE OF LIQUID NA-SN ALLOYS [J].