Local and non-local topological treatment of electronic distributions are applied to a simple out of equilibrium case of an electron-deficient three-atom cluster, B3⁺. The bending movement is described in detail through the onset and disappearance of critical points defining two kinds of molecular structures, characterizing a transition state (TS) and predicting two stable equilibrium geometries. All points in this rich evolution and the structural change in the out of equilibrium conformations has been featured and distinguished by the behavior of the population magnitudes and of the paired and unpaired electron densities within the non-local and local points of view of the topological formalism. The unpaired or electron hole density appears as relevant in both versions, the non-local or integrated one, in which it is sometimes called free-valence and also for its complementary counterpart, the local one, to describe and to quantify the interatomic interactions. The stability of the cluster B₃⁺ is characterized in terms of a topologically defined ring structure and the highest total two- and three-center populations, thus showing the role of the geometry, the covalence, and the complex patterns. Consideration of the electron correlation effects constitutes the basement of the results gathered, thus displaying their influence in the formation and breaking of boron bonding interactions.

电子分布的局部和非局部拓扑处理适用于电子不足的三原子簇B3 ⁺的简单不平衡情况。通过定义两种分子结构的临界点的出现和消失来详细描述弯曲运动，这些临界点表征了过渡态（TS）并预测了两个稳定的平衡几何形状。拓扑形式主义的非局部和局部视点内的种群数量级以及成对和不成对电子密度的行为已表征并区分了这种丰富的演化中的所有点以及不平衡构象中的结构变化。 。未配对或电子空穴密度在两个版本中都相关，即非局部或集成的，有时称为自由价，也称为互补价，即局部的，用于描述和量化原子间相互作用。集群B的稳定性₃ ⁺的特征在于拓扑定义的环结构和最高的两中心和三中心总数，因此显示了几何形状，共价和复杂图案的作用。考虑电子相关效应构成了所收集结果的基础，从而显示了它们对硼键相互作用的形成和破坏的影响。