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Hoffmann等人曾提出“等瓣类似性”(Isolobal Analogy)的概念来描述两个碎片的相似性,当两个碎片的前线轨道的数目、对称性、近似能量和形状以及其中的电子数相似时,这两个碎片就称为等瓣性碎片(其间关系用气(?)表示)。等瓣性碎片可以相互作用给出分子,但并不保证这些分子都是动力学和热力学上稳定的。基于这一概念,如下图所示,Fe(CO)_4和(PR_3)_2Ni是等瓣性碎片:
Hoffmann et al. Proposed the concept of “Isolobal Analogy” to describe the similarity of two fragments. When the number of frontier orbits, symmetry, approximate energy and shape of two fragments and the number of electrons therein are similar , These two fragments are called isovalous fragments (the relationship between the use of gas (?) Said). Isoval petal fragments can interact to give molecules, but there is no guarantee that these molecules are both kinematically and thermodynamically stable. Based on this concept, Fe (CO) _4 and (PR_3) _2Ni are isovalvular fragments as shown in the figure below: