Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki, Finland.
Chemistry. 2009 Nov 23;15(46):12770-9. doi: 10.1002/chem.200901472.
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 data came from E=CH(2) and H-E=CH(2) 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.
之前的三键和单键自洽、加和共价半径系统，R(AB)=r(A)+ r(B)，通过对 sigma(2)pi(2)双键的拟合得到了完善。主键长 R 取自与所选基团价态相对应的实验或理论数据。所有 r(E) 值都来自于相同的自洽拟合。许多计算出的主要数据来自于 E=CH(2) 和 H-E=CH(2) 模型。同核 LE=EL、甲醛型第 14 族-第 16 族和开壳层、X (3) Sigma 第 16 族二聚体数据都包含在内。包含的 316 个数据点的标准偏差为 3 pm。
