中文摘要：

人们通常讨论的化学键是指那些熟知的共价键、离子键、金属键和范德瓦尔斯键．虽然那些非键例如断键、非键孤对电子、非键单电子、反键偶极子等在我们的日常生活中无处不在，但却很少引人关注．研究发现，恰恰是由于这些非键及其组合的存在，才导致并形成了功能材料尤其是低维功能材料的一系列新奇特性．该文旨在介绍和讨论非键的起因、作用及其研究进展与展望；并强调从有关键和非键的形成、断裂、弛豫、振动和相应的电子转移、极化、局域化和高密度化等的动力学角度出发揭示和预测功能材料宏观行为的必然性．

英文摘要：

Although exist everywhere, the nonbonding events have attracted little attention by the society. Recent research revealed that the presence of the nonbonding events including the broken bonds, nonbonding lone pairs, nonbonding unpaired electrons, and antibonding dipoles and their energy states dominate the performance of low-D functional materials. Meanwhile, we would like to emphasis that it is imperative to consider the macro properties of materials from the perspective of bond and nonbond formation, dissociation, relaxation and vibration and the associated energetics and dynamics of charge repopulation, polarization, densification and localization.