第 7 章 : 晶体学基础

  7.1 晶体结构的周期性和点阵
      7.1.1 晶体
      7.1.2 点阵与结构单元
      7.1.3 晶胞
      7.1.4 晶面
  7.2 晶体的晶系和空间点阵形式
      7.2.1 七个晶系
      7.2.2 14 种空间点阵形式
      7.2.3 空间群
      7.2.4 32 个晶体学点群
  7.3 晶体结构对称性
  7.4 X 射线晶体衍射
      7.4.1 X 射线的产生
      7.4.2 衍射方向
      7.4.3 衍射强度与系统消光
      7.4.4 单晶与多晶衍射

第 8 章 : 金属与合金

  8.1 金属键理论
      8.1.1 自由电子模型
      8.1.2 能带理论
  8.2 等径球密堆积
      8.2.1 等径球密堆积
      8.2.2 密堆与空隙
  8.3 金属单质结构
      8.3.1 金属单质结构
      8.3.2 金属原子半径
  8.4 合金的结构
      8.4.1 金属固溶体
      8.4.2 金属化合物
      8.4.3 金属间隙化合物
  8.5 准晶
      8.5.1 准晶的发现
      8.5.2 二十面体密堆
  8.6 非晶态合金
      8.6.1 非晶态合金的发现与结构特征
      8.6.2 非晶态合金的分类与制备
      8.6.3 性能与应用

第 9 章 : 离子晶体

  9.1 晶格能
      9.1.1 晶格能的静电模型
      9.1.2 晶格能的热力学模型
  9.2 几种典型的离子晶体结构
  9.3 离子半径
      9.3.1 离子半径
      9.3.2 离子半径与周期表
      9.3.3 离子堆积规则
  9.4 离子极化
      9.4.1 离子极化
      9.4.2 离子极化对结构的影响
  9.5 多元离子化合物
      9.5.1 几种重要构型
      9.5.2 Pauling 规则
      9.5.3 硅酸盐的结构
  9.6 功能材料晶体
      9.6.1 高温超导晶体
      9.6.2 非线性光学晶体
      9.6.3 磁性材料

    Structural Chemistry is a course that deals with the studies of microscopic structures of matters at the atomic and molecular level. Based on the quantum mechanics, it incorporates the experimental data of inorganic and organic chemistry to address the chemical bond theory of molecules, which will greatly improve the understanding of various chemical phenomena, e.g., the chemical bonds determine the molecular structures and the molecular structures determine their corresponding properties. To enroll the course, one requires the knowledge of advanced mathematics, college physics, linear algebra, inorganic chemistry and organic chemistry. Following is the content for this course.

Chapter 1. The basic knowledge of quantum mechanics

  1.1. The naissance of quantum mechanics
  1.2 The basic assumptions in quantum mechanics
  1.3 Simple applications of quantum mechanics

Chapter 2. The structure of atoms

  2.1 The Schrüdinger equation
  2.2 The wavefunction and orbital energy of hydrogen-like ions
  2.3 The structure of multi-electron atoms
  2.4 Atomic spectra

Chapter 3 The symmetry of molecules

  3.1 Symmetry operations and symmetry elements
  3.2 Point groups
  3.3 The dipole moment and optical activity

Chapter 4. Diatomic molecules

  4.1 Brief introduction to chemical bond theory
  4.2 The structure and properties of diatomic molecules
  4.3 Molecular orbital (MO) theory and diatomic molecules
  4.4 Valence-bond (VB) theory and the structure of hydrogen molecule

Chapter 5. The polyatomic molecules (A)

  5.1 The theory of hybrid orbitals
  5.2 Valence shell electron pair repulsion theory (VSEPR)
  5.3 Delocalized p bonds and HMO theory
  5.4 Approach of molecular orbitals with pre-determined coefficients
  5.5 Frontier-orbital theory and Orbital Symmetry Conservation (Woodward- Hoffmann) rules

Chapter 6. The polyatomic molecules (B)

  6.1 Electron-deficient multi-center bonds
  6.2 Chemical bonds in the complexes
  6.3 Ligand field theory
  6.4 Transition metal clusters
  6.5 Hydrogen bonds

Chapter 7. The basic knowledge of crystallography

  7.1 Periodicity and lattices of crystal structures
  7.2 Crystal systems and types of space lattice
  7.3 Symmetry in crystal structures
  7.4 X-ray diffraction of crystal

Chapter 8. Metals and alloys

  8.1 The metallic bond theory
  8.2 Close packing of identical spheres
  8.3 The structures of pure metals
  8.4 The structures of alloys
  8.5 Quasi-crystals
  8.6 Amorphous alloys

Chapter 9. Ionic compounds

  9.1 Lattice energy   
  9.2 Crystal structures of some typical ionic compounds   
  9.3 Ionic radii
  9.4 Polarization of ions
  9.5 Structures of poly-ionic compounds
  9.6 Crystal structures of some functional materials