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Complexes with synthetic ionophores

Crown ethers continue to be one of the most useful parts of supramolecular chemistry/91 From the beginning computations of metal ions complexes with synthetic ionophores/101 which have been aptly reviewed/111 emphasized the importance of including explicitly solvation in free energy calculations, also with ab initio calculations on calixarene complexes/121 Molecular dynamics simulations of 18-crown-6 ether complexes in aqueous solutions predict too low affinities, but at least correctly reproduce the sequence trend K+ > Rb+ > Cs+ > Na+. However, only the selection of K+ over Rb+ and Cs+ is ascribed to the cation size relative to that of the crown cavity, whereas K+ appears in these calculations to be selected over Na+ as consequence of the greater free energy penalty involved in displacing water molecules ftomNa/1131... [Pg.279]

Bunzli, J.-C.G., 1987. Complexes with synthetic ionophores. In Gschneidner Jr., K.A., Eyring, L. (Eds.), Handbook on the Physics and Chemistry of Rare Earths, vol. 9. Elsevier Science Publ., Amsterdam, pp. 321-394 (chapter 60). [Pg.458]

See other pages where Complexes with synthetic ionophores is mentioned: [Pg.456]    [Pg.546]    [Pg.373]    [Pg.543]    [Pg.548]    [Pg.539]    [Pg.762]    [Pg.620]    [Pg.601]    [Pg.398]    [Pg.518]    [Pg.420]    [Pg.697]    [Pg.685]    [Pg.581]    [Pg.645]    [Pg.471]    [Pg.352]    [Pg.493]    [Pg.710]    [Pg.528]    [Pg.779]    [Pg.416]    [Pg.420]    [Pg.669]    [Pg.560]    [Pg.442]    [Pg.490]    [Pg.524]    [Pg.407]   
See also in sourсe #XX -- [ Pg.9 ]

See also in sourсe #XX -- [ Pg.9 , Pg.60 , Pg.321 ]

See also in sourсe #XX -- [ Pg.9 , Pg.60 , Pg.321 ]



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Biinzli, Complexes with synthetic ionophores

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