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On Two Different Objectives of the Concepts of Ionic Radii

机译:关于离子半径概念的两个不同目标

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Experimentally and theoretically derived interatomic distances (D) and ionic radii (R) of more than a hundred monomeric (AX), dimeric (A2X2, ABXY), and crystalline ([AX]) alkali halide species (A = Li, Na, K, Rb, Cs, Fr; X = H, F, Cl, Br, I, At) have been analyzed. Chemists use the word "atomic radius" for two antithetic concepts. Let D_(CiEE'jj') be the "billion" of distances i between two adjacent atoms in the millions of known compounds C from a hundred different elements E in bonding states j. The common chemical aim is partitioning D approximately into increments R_(Ej)+R_(E'j'). This can be achieved with a few (say < thousand) predictive constants R_(Ej). An antipodal aim is specifying in hindsight an electron density feature in the "billion" of different bonds i, by partitioning them into "two billions" of exact bonded radii R_E~(Ci)+ R_(E')~(Ci) The constant incremental and the variable bonded radii concepts with the same generic name are useful in different fields of research. Different concepts should be well distinguished, since they have different meaning, different numerical values, and different purposes.
机译:从实验和理论上推导出一百多种单体(AX),二聚体(A2X2,ABXY)和晶体([AX])碱金属卤化物的原子间距离(D)和离子半径(R)(A = Li,Na,K ,Rb,Cs,Fr; X = H,F,Cl,Br,I,At)已被分析。化学家将“原子半径”一词用于两个对立的概念。令D_(CiEE'jj')是成键状态j中来自一百个不同元素E的数百万个已知化合物C中两个相邻原子之间距离i的“十亿”。常见的化学目的是将D大致划分为增量R_(Ej)+ R_(E'j')。这可以通过几个(假设小于一千)预测常数R_(Ej)来实现。对偶的目的是事后确定通过将电子束的十亿个精确键合半径R_E〜(Ci)+ R_(E')〜(Ci)划分为“十亿个”来确定电子密度特征。具有相同通用名称的增量和可变键合半径概念在不同的研究领域中很有用。不同的概念应加以区分,因为它们具有不同的含义,不同的数值和不同的用途。

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