冠醚络合物的稳定性理论 Ⅰ.冠醚及其金属络合物中若干几何参数的计算

    STUDY ON THE STABILITY OF CROWN ETHER COMPLEXES Ⅰ.CALCULATION OF SOME GEOMETRIC PARAMETER OF CROWN ETHERS AND THEIR METAL COMPLEXES

    • 摘要: <正> 冠醚已广泛应用于有机合成、金属离子的分离或分析以及离子选择电极等方面。由于较难制备成适合晶体测定的样品形式,所以迄今为止测定冠醚或其络合物晶体结构的工作为数并不多。

       

      Abstract: The ring radii and cavity radii of 12-crown-4,15-crown-3,18-crown-6,2l-crown-7,24-crown-8,27-crown-9 and 30-crown-10 as well as the distances between metal ions and oxygen atoms on the ring are calculated on the basis of an "Atoms-in Coniact"model. Most of the values thus obtained are in good agreement with earlier estimates based on other models or deduced from X-ray crystallographic data.It is therefore possible to nake predictions on the stability of certain crown complexes,the molecular geometry of which has not been clear thus far.

       

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