论文部分内容阅读
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 covariation vector theorem is generalized and applied to the orbital structure of the chain structure of new borane produced by laser. Define the symmetric valence bond orbitals in the repeating units and use them to construct the hydrogensulfide bridging orbital of a long-chain structure, extending the form of three-center electron-deficient bonds. Combining the symmetric bond orbital concept of this substructure with the extended Huckel molecular orbital calculation gives a good visual representation of the bonding properties and provides a quantitative estimate of the amount of other regular macromolecules in a stoichiometric data analysis A valuable skill.