Study on the components of isopropanol aqueous solution

Isopropanol is thought to play a significant part in industrial production. In this work, we study the components of the isopropanol aqueous solution based on Time-Correlated Single Photon Counting (TCSPC) and Density Functional Theory (DFT). The experimental results show that the components in the isopropanol aqueous solution are related to the concentration of the solution. New structures are formed more easily when the concentration of isopropanol is small. In addition to concentration, these solutions are also affected by the excitation wavelength. The fluorescence lifetimes, relative concentrations, and the relative emission intensity of different emitting components in the solution at various concentrations are obtained. The theoretical calculations are performed on the structures of (CH3)2CHOH(H2O)n (n = 1 ∼ 6) clusters. By comparing the structural parameters, we find that (CH3)2CHOH(H2O)4 is more stable. The results suggest that (CH3)2CHOH(H2O)4 clusters are more probable in the isopropanol aqueous solution. This work may shed light on the further theoretical and experimental study on the isopropanol aqueous solution.