链式硼烷的桥键

Bridge Bonds of the Centipedo-boranes

将共变基向量定理推广并应用于激光产生的新型硼烷的链结构的对称性轨道构造．定义重复单元中的对称化价键轨道并用之构造长链结构的硼氢桥键轨道，扩展了三中心缺电子键的形式．将这种子结构的对称化键轨道概念结合扩展Ｈｕｃｋｅｌ分子轨道计算结果的分析，能很好地给出成键性质的直观描述，且为其它规则大分子的量于化学计算的数据分析提供一种有参考价值的技巧．

The basis transformation theorem which gives a general method to construct symmetry orbitals,is extended and utilized in constructing the symmetry orbitals for the bridge bond of the form B-H-B-H-B…in the long chain structure for the centipedo-boranes B_(3k+p)H(5k+p+3), in terms of the symmetrized valence bond (SVB) orbitals of the repeated unit B_3H_5. Employing these SVB orbitals and the data from extended Huckel calculations,we can directly describe the bonding of the chain structure. This technique is suitable to other large regular system.