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物理化学学报  2003, Vol. 19 Issue (11): 1073-1077    DOI: 10.3866/PKU.WHXB20031118
厦门大学化学系,物理化学研究所,厦门 361005
Average van der Waals Radii of Atoms in Crystals
Hu Sheng-Zhi;Zhou Zhao-Hui;Tsai Khi-Rui
Department of Chemistry and Institute of Physical Chemistry, Xiamen University, Xiamen 361005
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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.
关键词: 平均原子体积范德华半径次级键    
Abstract: 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.
Key words: Average atomic volumes    van der Waals radii    Secondary bonding
收稿日期: 2003-05-16 出版日期: 2003-11-15
通讯作者: 胡盛志     E-mail:
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胡盛志;周朝晖;蔡启瑞. 晶体中原子的平均范德华半径[J]. 物理化学学报, 2003, 19(11): 1073-1077, 10.3866/PKU.WHXB20031118

Hu Sheng-Zhi;Zhou Zhao-Hui;Tsai Khi-Rui. Average van der Waals Radii of Atoms in Crystals. Acta Phys. -Chim. Sin., 2003, 19(11): 1073-1077, 10.3866/PKU.WHXB20031118.


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