单晶的结构若干问题解析.pptVIP

Structural Diagrams Stick, ball-and-stick, ORTEP (ellipsoid), space-filling, polyhedral、stereoviews ★ Ball-and-stick (Pluto) plots ★ Ball-and-stick (Pluto) plots vs ORTEP Plots: molecular structures, fragments, or coordination geometry, etc. 连键参数Covalent bonds: Sum of atomic (or ionic ) radii plus 0.5 ? Space-filling diagrams: actual structures, aromatic p-p stacking Interactions, helical structures 孔洞的计算问题：有效距离与原子距离？ Sizes of the channels: van der Waals radii, H-atoms included Cavities or Voids + 3.24 ? 6.56 ? 省略了什么？不同圆 代表什么？ 用WORD插入文字等 彩色结构图: OLEX 球棍模型, 填充图, 分析拓扑结构,