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π键电子在分子的电子光谱中具有重要地位。π电子的主要特征是它的离域性质,可以作为势阱中粒子来处理,并称为共轭分子中π电子跃迁的自由电子模型,或自由电子分子轨道法(FEMO)。用FEMO法处理共轭分子是最简单的方法,在某些情况下计算电子跃迁能时可得到很好的结果。这种方法是以单维势阱模型为基础的。早在1935年,Pauling等人就提出了单维势阱模型,但直到五、六十年,才被广泛地用来研究共轭分子体系。
π-bond electrons have an important position in the electronic spectrum of the molecule. The main feature of π electron is its delocalization property, which can be treated as a particle in a potential well and is called a free-electron model of π electron transition in conjugate molecule or free electron molecular orbital method (FEMO). The simplest way to treat conjugated molecules with the FEMO method is to obtain good results in some cases when calculating electron transition energies. This method is based on a one-dimensional potential well model. As early as 1935, Pauling et al. Proposed a one-dimensional potential well model, but it was not widely used to study conjugated molecular systems until five or six decades ago.