Abstract

Structural dynamics of in aqueous solution with different supersaturations and pH values was investigated by Fourier transformation infrared attenuated total reflectance (FTIR-ATR) spectroscopy. With increase in the concentration of potassium dihydrogen phosphate (KDP), the variation of configurations can be reflected by increased intensity of v1(PO4) and the broadened width of v3(PO4) absorption band in FTIR-ATR spectra. With the transition of KDP solution from unsaturated to saturated and supersaturated states, both the red shift of δ(P−O⋅⋅⋅H–O−P) from 1229 to 1259 cm−1 and the decreased density of stretching vibration of H2O at 1637 cm−1 illustrate the development of ions from monomers to dimmers and (n>2) in aqueous solutions. For saturated KH2PO4 solution, H3PO4 and coexist with decreasing pH value down to 1·5, whereas and coexist in the solution with increasing pH value up to 6·0. Such an in situ recording strategy is of particular value in studies of structural dynamics in different solution conditions, which can strengthen the understanding of crystallisation mechanisms of KDP family crystals.

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