CJCU

Chem. J. Chinese Universities ›› 2001, Vol. 22 ›› Issue (9): 1466.

• Articles • Previous Articles     Next Articles

Studies on Quantitative Structure-property Relationship of Lanthanide Metal Ions Using an Artificial Neural Network

YANG Xing-Hua1,2, YIN Chun-Sheng2, PAN Zhong-Xiao2   

  1. 1. Department of Huaihua Teachers' College, Huaihua 418008, China;
    2. Department of Applied Chemistry, University of Science and Technology of China, Hefei 230026, China
  • Received:2000-08-28 Online:2001-09-24 Published:2001-09-24

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Abstract: Systematical studies were made on the influencing factors concerned to the complexation, hydration, etc of lanthanide metal ions. Aset of parameters such as ionic radii, electronegativity, base state Lvalues, and periodic factors, defined in this work, were used to nonlinearly correlate the stability constants lg Kof EDTA, NTA and HTTAcomplexes, hydration energy Δ H, hydrolysis constants p K1 and pKm of hydroxides of the lanthanide metal ions with the functional link net(FLN). The obtained results are satisfactory, and better than that obtained by using linearly statistic method. Some of the absent constants values were predicted by FLN.

Key words: Lanthanide metal ions, Quantitative structure property relationship, Functional link net, Nonlinear correlation

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