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- W2057041569 abstract "Calculation using CNDO/2 method have been performed for the crown ethers and their cation complexes. The photoelectron spectra of 18-crown-6 and 12-crown-4 are well described by the present MO calculations. The orbital interactions between the crown ligand and the cation indicate the importance of the charge transfer interaction for the complex formation. The destabilization energy due to the ring-shrinking (~ 0.5 eV) is very small compared with the complexation energy (5–8 eV). The stability of the complex was reasonably explained by the considering the hydrated species of the cation and the complex, indicating the important role of the solvation effect in the selectivity of the crown ether to the cation." @default.
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- W2057041569 date "1979-01-01" @default.
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- W2057041569 title "Stability of crown ether complexes: a mo theoretical study" @default.
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- W2057041569 doi "https://doi.org/10.1016/s0040-4020(01)93724-x" @default.
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