CALCULATION OF MADELUNG ENERGY OF IONIC THIOUREA COMPLEXES

被引:16
作者
BOEYENS, JCA
GAFNER, G
机构
[1] Chemical Physics Group, National Chemical and Physical Research Laboratories, CSIR, Pretoria
关键词
D O I
10.1063/1.1670419
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 Madelung interactions between the ions and dipoles in a typical complex of thiourea with an ionic salt have been calculated by numerical methods. The calculations show that the cohesion in the complexes is almost exclusively due to electrostatic interactions and that complexing only occurs, for energetic reasons, with ionic salts which have lattice energies of less than ~160 kcal/mole.
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页码:2435 / &
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