Cordero Beatriz, Gómez Verónica, Platero-Prats Ana E, Revés Marc, Echeverría Jorge, Cremades Eduard, Barragán Flavia, Alvarez Santiago
Departament de Química Inorgànica and Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franqués 1-11, 08028, Barcelona, Spain.
Dalton Trans. 2008 Jun 7(21):2832-8. doi: 10.1039/b801115j. Epub 2008 Apr 7.
A new set of covalent atomic radii has been deduced from crystallographic data for most of the elements with atomic numbers up to 96. The proposed radii show a well behaved periodic dependence that allows us to interpolate a few radii for elements for which structural data is lacking, notably the noble gases. The proposed set of radii therefore fills most of the gaps and solves some inconsistencies in currently used covalent radii. The transition metal and lanthanide contractions as well as the differences in covalent atomic radii between low spin and high spin configurations in transition metals are illustrated by the proposed radii set.
根据原子序数高达96的大多数元素的晶体学数据，推导出了一组新的共价原子半径。所提出的半径呈现出良好的周期性依赖关系，这使我们能够为缺乏结构数据的元素（尤其是稀有气体）内插几个半径。因此，所提出的半径集填补了大部分空白，并解决了当前使用的共价半径中的一些不一致问题。所提出的半径集说明了过渡金属和镧系收缩以及过渡金属中低自旋和高自旋构型之间共价原子半径的差异。
