晶体中原子的平均范德华半径  

Average van der Waals Radii of Atoms in Crystals

作　　者：胡盛志[1] 周朝晖[1] 蔡启瑞[1] 

机构地区：[1]厦门大学化学系,物理化学研究所厦门361005

出　　处：《物理化学学报》2003年第11期1073-1077,共5页Acta Physico-Chimica Sinica

基　　金：国家基础研究发展规划(CB001CB108906);国家自然科学基金(29933040)~~

摘　　要：根据晶体中原子的平均体积数据提出包括全部金属元素的原子平均范德华半径值。与现有几个重要的范德华半径体系进行了初步的比较,指出范德华半径值在应用中值得注意的问题,简要提出了有关范德华半径今后研究的方向。Provisional data of the atomic average van der Waals radii including all common metal elements in crystals are proposed, which is derived from the available data of the average atom volume in crystals. Average volume of elements at 298 K was obtained by a statistical analysis of the Cambridge Structural Database. The present van der Waals radii are compared with the other systems proposed previously by Pauling, Bondi, Batsanov, Allinger or Zefirov. The van der Waals radii of lanthanide and actinide elements are peculiar to the other systems since they have never appeared in literature. It is worthy to note that all the radii presented in this work are more suitable to organic and metal-organic compounds. Moreover, the characteristics of this system, some current problems of van der Waals radii application and further study in this area are also discussed.

关 键 词：晶体结构 原子 平均体积 平均范德华半径 次级键 

分 类 号：O742[理学—晶体学]