纳米簇合物(简称纳米簇)因具有独特的尺寸和结构特性，能够实现原子水平的精确组成与结构调控，在光电、催化、生物探测等领域显示出重要的应用价值，是纳米材料和能源催化领域的研究前沿和热点。本论文旨在探究硫化锌纳米簇光学性质与其结构/组成间的构效关系；为此，通过改变反应条件获得几种尺寸不同的硫化锌纳米簇，并利用吸收光谱追踪它们的尺寸演变和相互转化。实验结果表明，硫化锌纳米簇的尺寸与反应温度及时长紧密相关，随着反应时间的延长，硫化锌纳米簇会从一个稳定的尺寸转变成另一个稳定的尺寸。在120℃反应温度下，吸收峰257nm的纳米簇会向吸收峰284nm的纳米簇转变；在80℃反应温度下，在一定时间内，吸收峰257nm的纳米簇会向吸收峰271nm的纳米簇转变，随后又会转变回到吸收峰257nm的纳米簇；在60℃反应温度下，吸收峰264nm的纳米簇会向吸收峰257nm的纳米簇转变。进一步，飞行质谱、X射线衍射图谱和透射电镜技术被采用以获得上述几种纳米簇的质量、尺寸及结构信息；其中飞行质谱图揭示这些纳米簇的质量特征峰具有不同的丰度比，提示它们具有不同的分子组成。

Due to its unique size and structural characteristics, nanoclusters can achieve precise composition and structure control at the atomic level, which show important application value in the fields of optoelectronics, catalysis and biological detection and become the research frontier and hot spot in the field of nanomaterials and energy catalysis. This paper aims to explore the structure-activity relationship between the optical properties and the structure / composition of ZnS nanoclusters. Therefore, several kinds of ZnS nanoclusters with different sizes were obtained by changing the reaction conditions, and their size evolution and mutual transformation were tracked by UV-visible absorption spectrum. The experimental results show that the size of ZnS nanoclusters is closely related to the reaction temperature and time. With the increase of reaction time, ZnS nanoclusters will change from one stable size to another. At the reaction temperature of 120℃, the nanoclusters with 257 nm absorption peak will transform to those with 284 nm absorption peak. At the reaction temperature of 80℃, within a certain period of time, the nanoclusters with the absorption peak of 257 nm will transform to the nanoclusters with the absorption peak of 271 nm, and then back to the nanoclusters with the absorption peak of 257 nm. At the reaction temperature of 60℃, the nanoclusters with 264nm absorption peak will transform to the nanoclusters with 257nm absorption peak. Furthermore, flight mass spectrometry, X-ray diffraction and transmission electron microscopy were used to obtain the mass, size and structure information of the nanoclusters. The mass characteristic peaks of these nanoclusters have different abundance ratios, indicating that they have different molecular compositions.