结构化学是探讨化学物质的微观结构以及它和宏观性能之间相互关系的基础科学,是化学学科的一个重要分支。这里所谓微观结构,指的是原子-分子层次的结构,包括分子中原子的空间排列以及原子基团之间的相对空间排布;分子的各种内部运动,包括分子的转动,原子间的振动和其中电子的运动;这些不连续的(即量子化的)运动状态给出的能级的分布。经典的化学结构理论曾经正确地指出:物质的内部结构完全决定了它的典型化学反应性能(实际上也同时决定了大部分其它方面的性能);反过来,通过这些典型化学反应性能的研究,原则上也应该能定出化 Structural chemistry is a fundamental science that explores the microstructure of chemical substances and their interplay with macroscopic properties and is an important branch of chemistry. The so-called microstructure refers to the structure of the atomic - molecular level, including the spatial arrangement of atoms in atoms and the relative spatial arrangement of atomic groups; various internal molecular motions, including molecular rotation, vibration between atoms And the motion of electrons therein; the distribution of energy levels given by these discontinuous (ie, quantized) motion states. Classical chemical structure theory correctly pointed out: the internal structure of matter completely determines its typical chemical reaction performance (in fact, also determines most of the other aspects of the performance); the other hand, through the study of these typical chemical reaction properties, In principle, it should also be able to set