The molecular and supramolecular chemistry of atomically precise nanoclusters encompasses intra-cluster growth, inter-cluster assembly, and cluster-based host-guest nanosystems, and is a flourishing area of nano-research. This review presents recent advances in the molecular and the supramolecular chemistry of nanoclusters in atomic precision. We first present the intra-cluster growth modes of nanoclusters, including kernel fusion, interpenetration, cluster of clusters, Au₄ tetrahedra as building blocks, shell by shell, and layer by layer. These intra-cluster growth modes reflect the molecular chemistry of nanoclusters. We further discuss the inter-cluster assembly of nanoclusters, which belongs to the realm of supramolecular chemistry – cluster-based crystal lattices, metal-organic frameworks, and aggregation-induced emission materials are included. Then, the cluster-based host-guest nanosystems are reviewed. Nanoclusters can serve as both hosts, to absorb functional molecular guests; and also act as guests, anchored onto/into 1D nanowires, 2D nanosheets, and 3D nanostructures. The techniques of molecular/supramolecular chemistry are able to tune the chemical and physical properties of nanoclusters, which are introduced in these sections. Finally, scope for improvements and future perspectives on this research field are highlighted as well. This review will be useful to researchers attempting to understand and/or design new nanoclusters or cluster-based hybrid nanomaterials with desired functionalities.

原子精确的纳米团簇的分子和超分子化学涵盖了团簇内部的生长，团簇之间的组装以及基于簇的宿主-客体纳米系统，是纳米研究的一个蓬勃发展领域。这篇综述介绍了纳米团簇的分子和超分子化学在原子精度方面的最新进展。我们首先介绍了纳米簇的簇内生长模式，包括核融合，互穿，簇簇，Au ₄四面体作为构建基块，逐壳，逐层。这些簇内生长模式反映了纳米簇的分子化学。我们进一步讨论了纳米团簇之间的组装，这属于超分子化学领域-包括基于团簇的晶格，金属有机骨架和聚集诱导的发射材料。然后，审查了基于群集的主客体纳米系统。纳米团簇既可以充当宿主，也可以吸收功能性分子客体。并且还充当来宾，固定在1D纳米线上，2D纳米片和3D纳米结构上。分子/超分子化学技术能够调整纳米团簇的化学和物理性质，这些在本节中介绍。最后，还强调了该研究领域的改进空间和未来前景。这篇综述对于试图了解和/或设计具有所需功能的新型纳米团簇或基于簇的杂化纳米材料的研究人员将非常有用。