【摘要】 氢键是分子内或分子间的一种弱相互作用,在众多科学分支上起着重要作用,广泛用于分子设计和结构控制,是目前人们研究的热门领域之一。本文详细介绍了氢键的定义、氢键研究的理论方法、氢键对红外光谱的影响以及氢键的协同效应和超加和性,并对氢键研究的现状及前景进行了评述。更多还原

【Abstract】 Hydrogen bond is a kind of weak interaction between intramolecular or intermolecular,but it has a strong impact on the natures of substances. It also plays an important role in chemistry,biology and materials science and has widely applied on the molecular design and structure control. The characteristics and features of the investigation for hydrogen bond were introduced. Computational methods of quantum chemistry,and a perspective in this research field were also discussed.更多还原