分子的空间构型是化学研究的重要内容之一。在化学发展过程中,曾经出现过许多确定分子空间构型的理论,主要的有“价电子对互斥理论”、“价键理论”、“Walsh法”、“最可几构型理论”等。本文将详细讨论前三种理论,分析其成功之处、失败的原因,并提出弥补不足之处的方法。其目的是依据这些理论能较容易地正确判断、预测并说明常见分子的空间构型。 The spatial configuration of molecules is one of the important contents of chemistry research. In the process of chemical development, there have been many theories to determine the spatial configuration of molecules. The main theories are the “valence electron-pair mutex theory”, “valence bond theory”, “Walsh method” and “most configurable theory” . This article will discuss in detail the first three theories, analyze their success, the reasons for the failure, and propose ways to make up for the deficiencies. Its purpose is based on these theories can more easily and correctly judge, predict and explain the common molecular spatial configuration.