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Bond-valence parameters of lanthanides.

机译:镧系元素的键价参数。

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摘要

Ln-O and Ln-N bond-valence parameters have been computed in coordination complexes for lanthanides (Ln) at oxidation states other than +3 (Ce(IV), Sm(II), Eu(II) and Yb(II)). Moreover, Ln-Cl, Ln-S and Ln-C(pi-bonded) bond-valence parameters are presented, as calculated for coordination compounds. In general, the bond-valence parameters decrease in the order Ln-O > Ln-C > Ln-N > Ln-Cl > Ln-S. It has been found that the values of bond-valence parameters decrease with increasing lanthanide atomic number for coordination compounds. As expected, the values of lanthanide-oxygen and lanthanide-nitrogen bond-valence parameters diminish with increasing lanthanide oxidation state. Several examples are given where the total valence of the lanthanide ion is apparently incorrectly assigned, as well as cases where bond-valence method calculations confirm the doubtful oxidation state assignment.
机译:Ln-O和Ln-N键价参数已在镧系元素(Ln)的配合物中计算出+3以外的氧化态(Ce(IV),Sm(II),Eu(II)和Yb(II)) 。此外,还给出了Ln-Cl,Ln-S和Ln-C(π键)键合价参数,为配位化合物计算得出。通常,键价参数以Ln-O> Ln-C> Ln-N> Ln-Cl> Ln-S的顺序降低。已经发现,对于配位化合物,键价参数的值随着镧系元素原子数的增加而降低。不出所料,随着镧系元素氧化态的增加,镧系元素-氧原子和镧系元素-氮键价参数的值会减小。给出了几个例子,其中镧系元素离子的总价显然不正确地指定,以及键价方法计算确定了可疑的氧化态分配的情况。

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