| Autor: |
RABBE, C., MADIC, C., GODARD, A. |
| Zdroj: |
Solvent Extraction and Ion Exchange; July 1998, Vol. 16 Issue: 4 p1091-1109, 19p |
| Abstrakt: |
ABSTRACTThis study reports the results of a molecular orbital approach aimed to establish structure-activity relationships in a data base made of 22 monoamides used as uranium (VI) nitrate extractants. Semi-empirical calculations of the monoamides were carried out using the AMI self-consistent field method. All the calculations were related to the individual monoamide molecule considered in vacuum. Geometrical and electronic parameters were calculated for the 22 monoamides. A quantitative relationship was established between the uranium (VI) nitrate distribution ratio and a charge parameter of the monoamide extractant. |
| Databáze: |
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