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Molecular Double-Bond Covalent Radii for Elements Li-E112

机译:Li-E112的分子双键共价半径

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摘要

The previous systems of triple-bond and single-bond self-consistent, additive covalent radii, R(AB) = r(A) + r(B), are completed with a fit for sigma(2)pi(2) double-bonds. The primary bond lengths, R, are taken from experimental or theoretical data corresponding to chosen group valencies. All r(E) values are obtained from the same, self-consistent fit. Many of the calculated primary dat came from E=CH2 and H-E=CH2 models. Homonuclear LE=EL, formaldehyde-type Group 14-Group 16 and open-shell, X-3 Sigma Group-16 dimer data are included. The standard deviation for the 316 included data points is 3 pm.
机译:先前的三键和单键自洽相加加成共价半径R(AB)= r(A)+ r(B)的系统已完成,适用于sigma(2)pi(2)double-债券。初级键长R取自与所选基团价相对应的实验或理论数据。所有r(E)值均来自相同的自洽拟合。计算出的许多主要数据来自E = CH2和H-E = CH2模型。包括Homonuclear LE = EL,甲醛型的14-Group 16组和开壳的X-3 Sigma Group-16的二聚体数据。包含的316个数据点的标准偏差为3 pm。

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