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A combined extraction and DFT study on the complexation of the silver cation with dibenzo-18-crown-6

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Abstract

Extraction experiments in the two-phase water/nitrobenzene system and γ-activity measurements were used to determine the stability constant of the dibenzo-18-crown-6·Ag+ complex species in nitrobenzene saturated with water. Furthermore, the structure of the resulting complex was derived by means of theoretical calculations at the density functional level.

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Acknowledgments

This work was supported by the Czech Ministry of Education, Youth, and Sports (projects MSM 4977751303 and MSM 6046137307) and by the Czech Science Foundation (project P205/10/2280). The computer time at the MetaCentrum (project MSM 6383917201), as well as at the Institute of Physics (computer Luna/Apollo), Academy of Sciences of the Czech Republic, is gratefully acknowledged.

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Correspondence to Emanuel Makrlík.

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Makrlík, E., Toman, P. & Vaňura, P. A combined extraction and DFT study on the complexation of the silver cation with dibenzo-18-crown-6. Monatsh Chem 142, 137–140 (2011). https://doi.org/10.1007/s00706-010-0432-z

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  • DOI: https://doi.org/10.1007/s00706-010-0432-z

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