One of the most important electrostatic interactions between molecules is most definitely the hydrogen bond. Understanding the basis of this interaction may offer us the insight needed to understand its effect on the macroscopic scale. Hydrogen bonding is for example the reason for anomalous properties in compounds like water and naturally life as we know it. The strength of the bond depends on numerous factors, among them the electronegativity of participating atoms. In this work we calculated the strength of hydrogen bonds between hydrides of the upper-right part of the periodic table (C, N, O, F, P, S, Cl, As, Se, Br) using quantum-chemical methods. The aim was to determine what influences the strength of strong and weak hydrogen bonds in simple hydrides. Various relationships were checked. A relation between the strength of the bond and the electronegativity of the participating atoms was found. We also observed a correlation between the strength of hydrogen bonds and the inter-atomic distances, along with the dependence on the charge transfer on the atom of the donor. We also report characteristic geometries of different dimers.

分子之间最重要的静电相互作用之一无疑是氢键。理解这种相互作用的基础可以为我们提供了解其在宏观尺度上的影响所需的见识。氢键是例如我们所知的诸如水和自然生命之类化合物中异常性质的原因。键的强度取决于许多因素，其中包括参与原子的电负性。在这项工作中，我们使用量子化学方法计算了元素周期表右上部分的氢化物之间的氢键强度（C，N，O，F，P，S，Cl，As，Se，Br）。目的是确定什么因素影响简单氢化物中强氢键和弱氢键的强度。检查了各种关系。发现了键的强度与参与原子的电负性之间的关系。我们还观察到氢键强度与原子间距离之间的相关性，以及对供体原子上电荷转移的依赖性。我们还报告了不同二聚体的特征几何形状。