dorsal/arxiv
View SchemaFacilitated alkali ion transfer at the water 1,2-dichloroethane interphase: Ab-initio calculations concerning alkaline metal cation - 1,10-phenanthroline complexes
| Authors | C. Sanchez, S. A. Dassie, A. M. Baruzzi, E. P. M. Leiva |
|---|---|
| Categories | |
| ArXiv ID | physics/9709015 |
| URL | https://arxiv.org/abs/physics/9709015 |
Abstract
A series of calculations on the energetics of complexation of alkaline metals with 1,10-phenanthroline are presented. It is an experimental fact that the ordering of the free energy of transfer across the water - 1,2-dichloroethane interphase is governed by the charge / size ratio of the diferent cations; the larger cations showing the lower free energy of transfer. This ordering of the free energies of transfer is reverted in the presence of 1,10-phenanthroline in the organic phase. We have devised a thermodynamic cycle for the transfer process and by means of ab-initio calculations have drawn the conclusion that in the presence of phen the free energy of transfer is governed by the stability of the PHEN/M $^{+}$complex, which explains the observed tendency from a theoretical point of view.
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"date_created": "2026-03-02T18:01:21.791000Z",
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"abstract": "A series of calculations on the energetics of complexation of alkaline metals\nwith 1,10-phenanthroline are presented. It is an experimental fact that the\nordering of the free energy of transfer across the water - 1,2-dichloroethane\ninterphase is governed by the charge / size ratio of the diferent cations; the\nlarger cations showing the lower free energy of transfer. This ordering of the\nfree energies of transfer is reverted in the presence of 1,10-phenanthroline in\nthe organic phase. We have devised a thermodynamic cycle for the transfer\nprocess and by means of ab-initio calculations have drawn the conclusion that\nin the presence of phen the free energy of transfer is governed by the\nstability of the PHEN/M $^{+}$complex, which explains the observed tendency\nfrom a theoretical point of view.",
"arxiv_id": "physics/9709015",
"authors": [
"C. Sanchez",
"S. A. Dassie",
"A. M. Baruzzi",
"E. P. M. Leiva"
],
"categories": [
"physics.chem-ph"
],
"title": "Facilitated alkali ion transfer at the water 1,2-dichloroethane interphase: Ab-initio calculations concerning alkaline metal cation - 1,10-phenanthroline complexes",
"url": "https://arxiv.org/abs/physics/9709015"
},
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