Facilitated alkali ion transfer at the water 1,2-dichloroethane interphase: Ab-initio calculations concerning alkaline metal cation - 1,10-phenanthroline complexes

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dc.creatorSanchez, C.
dc.creatorDassie, S. A.
dc.creatorBaruzzi, A. M.
dc.creatorLeiva, E. P. M.
dc.date1997-09-09
dc.date.accessioned2026-07-07T09:16:22Z
dc.date.available2026-07-07T09:16:22Z
dc.descriptionA 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.
dc.description15 pages, LaTeX2e, 16 included EPS figures, submitted to Bulletin of the Chemical Society of Japan
dc.identifierhttps://arxiv.org/abs/physics/9709015
dc.identifierhttp://arxiv.org/abs/physics/9709015
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/153330
dc.subjectChemical Physics
dc.titleFacilitated alkali ion transfer at the water 1,2-dichloroethane interphase: Ab-initio calculations concerning alkaline metal cation - 1,10-phenanthroline complexes
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