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Dependence of the extraction capacity of neutral bidentate organophosphorus compounds on their structure: a quantum chemical study

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Abstract

Correlations between the extraction capacities and molecular structures of organophosphorus compounds (reagents for extraction of transplutonium elements from spent nuclear fuel) were studied using a quantum chemical approach. The results of calculations are in qualitative agreement with experimental data. The approach proposed can be used for analysis of the extraction properties of all classes of organophosphorus compounds and also for prediction of the most efficient organophosphorus extragents with preset properties.

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Authors and Affiliations

  1. V. I. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, 19 ul. Kosygina, 119991, Moscow, Russian Federation

    S. K. Sudarushkin, V. P. Morgalyuk, I. G. Tananaev, L. A. Gribov & B. F. Myasoedov

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  1. S. K. Sudarushkin
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  2. V. P. Morgalyuk
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  3. I. G. Tananaev
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  4. L. A. Gribov
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  5. B. F. Myasoedov
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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 609–615, April, 2006.

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Sudarushkin, S.K., Morgalyuk, V.P., Tananaev, I.G. et al. Dependence of the extraction capacity of neutral bidentate organophosphorus compounds on their structure: a quantum chemical study. Russ Chem Bull 55, 632–638 (2006). https://doi.org/10.1007/s11172-006-0304-1

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  • DOI: https://doi.org/10.1007/s11172-006-0304-1

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