著名分子轨道理论的核心内容是 ,组成 MO的 AO必须满足三条原则即对称性一致原则 ,最大重叠原则和能量相近原则。在这三条原则中 ,对称性一致原则是首要的 ,它决定着 AO是否能组合成 MO。因此在应用 LCAO- MO理论处理问题时 ,首先要判别相组合的 AO对称性是否一致。目前文献 [1 The core of the famous molecular orbital theory is that the AO that composes the MO must satisfy three principles: the principle of symmetry, the principle of maximum overlap, and the principle of similar energy. Among the three principles, the principle of the principle of symmetry is paramount, which determines whether AO can be combined into an MO. Therefore, when applying the LCAO-MO theory to solve the problem, we must first determine whether the AO symmetry of the phase combination is consistent. The current literature [1