CALCULATION OF BOND DISTANCES AND COHESIVE ENERGIES FOR GASEOUS HALIDES USING THE MODIFIED ELECTRON-GAS IONIC MODEL

被引：9
作者：
TOSSELL, JA
机构：
[1] Department of Chemistry, University of Maryland, College Park
来源：
CHEMICAL PHYSICS LETTERS | 1979年 / 67卷 / 2-3期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/0009-2614(79)85178-7
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 modified electron gas ionic model predicts bond distances in a series of 16 gaseous metal halides without occupied d orbitals with an average error of 5 picometer (pm), but for dp11 compounds calculated distances exceed experimental by 30 pm. Errors in calculated cohesive energies correlate strongly with electronegativity differences. © 1979.
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页码：359 / 364
页数：6
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