The dynamics of trace metals and the complexation behavior related to organic matter in the interface between water and sediment would influence water quality and evolution in the lake system. This study characterized the distribution of trace metals and the optical properties of dissolved organic matter (DOM) on the surface, and the underlying and pore water of Dianchi Lake (DC) to understand the origin of metals and complexation mechanisms to DOM. Some species of trace metals were detected and Al, Ti, Fe, Zn, Sr and Ba were found to be the main types of metals in the aquatic environment of DC. Ti, Fe, Sr and Ba predominated in water above the depositional layer. Al, Ti, Fe and Sr were the most abundant metallic types in pore water. Mn and Zn were the main type found at the southern lake site, reflecting the contribution of pollution from an inflowing river. The correlations between DOM and metals suggested that both originated from the major source as particulate organic matter (POM), associated with weathering of Ca-, Mg-carbonate detritus and Fe- or Mn-bearing minerals. High dynamics of DOM and hydrochemical conditions would change most metal contents and speciation in different water compartments. Proportions of trace metals in dissolved organic carbon (DOC) in natural waters were correlated with both DOM molecular weight and structure, different metals were regulated by different organic properties, and the same metal also had specific binding characteristic with DOM in various water compartments. This study highlighted the interrelation of DOM and metals, as well as the pivotal role that organic matter and nutrients played during input, migrations and transformations of metals, thereby reflecting water quality evolution in the lake systems.