卤键

除σ电荷密度外，π电荷密度对分子内卤键的性质也有明显影响。

Except the σ electron density , π electron density also has an obvious effect on the properties of intramolecular halogen bond . 2 .

卤键是一种类似氢键的分子间弱相互作用。

Halogen bond is known as a kind of non - covalent intermolecular interaction .

呋喃与CHF3和CClF3构成的分子间卤键的理论研究

The theoretical research on furan and halogen bond in CHF_3 and CClF_3

利用电子密度拓扑分析方法对卤键复合物的拓扑性质进行了分析研究。

The topological properties were investigated by the topological analysis of electron density .

若干二聚体的结构和氢键、卤键性质的理论研究

Theoretical Studies on Structures and Properties of Hydrogen Bond and Halogen Bond in Some Dimers

毫无疑问，氯仿是含碳？卤键的最重要的化合物之一。

Without doubt chloroform is one of the most important compounds containing a carbon-halogen bond .

与传统的氢键以及蓝移氢键相对照，还对蓝移卤键的拓扑性质、电子结构性质以及起源进行了详细的研究。

In contrast to the conventional hydrogen bond and the blue-shifting hydrogen bond , the topological and electronic properties and the origin of blue-shifting halogen bond are also investigated .

本文采用化学键方法对卤化物及硫卤玻璃的化学键特性进行了探讨。

The nature of chemical bond of halide and chalcogenide glasses was discussed in terms of the che mical bond approach .

脱卤反应的速率决定于电子转移的难易，与最低的碳卤反键σ空轨道的能级高度相关。

The rates of dehalogenation arc found to be dependent on the ease of electron transfer and the energy level of antibonding MO of C-X bond .