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- W1509051261 abstract "Interaction energies between crown ethers and cations are discussed on the basis of ab-initio MO calculations of 12-crown-4, 18-crown-6, and their cation complexes. The field in cavities of these cyclic ethers are qualitatively discussed by use of the electrostatic potential calculated. The potential suggests that the relation between a hole size of crown ether and an ion radius does not always decide the selective complex formation with the special ion. The electrostatic interaction between Ione pair orbitals of crown ether and cation does not occupy the dominant part of the stabilization energy in complex formation. The charge transfer interaction from crown ether to cation also contributes to the formation of cation complex of crown ether." @default.
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- W1509051261 date "1983-01-01" @default.
- W1509051261 modified "2023-10-15" @default.
- W1509051261 title "Theoretical study on the nature of the interaction between crown ethers and alkali cations" @default.
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- W1509051261 doi "https://doi.org/10.1016/s0040-4020(01)97631-8" @default.
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