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Citation: Zeng-Bo KE, Xin-Hui FAN, You-Ying DI, Feng-Ying CHEN, Li-Jun ZHANG, Ke YANG, Bing LI. Crystal structure, Hirschfeld surface analysis and solution chemical properties of lactate complex (NH4)2[Sr(C3H5O3)4][J]. Chinese Journal of Inorganic Chemistry, ;2023, 39(3): 521-532. doi: 10.11862/CJIC.2023.010 shu

Crystal structure, Hirschfeld surface analysis and solution chemical properties of lactate complex (NH4)2[Sr(C3H5O3)4]

  • 1.

    School of Materials and Chemical Engineering, Xi'an Technological University, Xi'an 710021, China

  • 2.

    Shaanxi Key Laboratory of Comprehensive Utilization of Tailings Resources, College of Chemical Engineering and Modern Materials, Shangluo University, Shangluo, Shaanxi 726000, China

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  • The anhydrous lactate complex (NH4)2[Sr(C3H5O3)4] was synthesized. The crystal structure was characterized by an X-ray single crystal diffractometer, and its composition, spatial structure, and coordination mode were determined. The Hirshfeld surface and 2D fingerprint plot of the complex were drawn, which provided reliable support for revealing the intermolecular interaction and revealed that the complex has many coordination sites and strong coordination activity. The crystal data were used to calculate the complex's lattice energy and its common anion's molar volume. The lattice energy of the complex was calculated to be 2742.9 kJ·mol-1. The enthalpy of dissolution of the complex in ultra-pure water as solvent at 298 K was measured by an isoperibol solution-reaction calorimeter. According to Pitzer's electrolyte solution theory, the infinite dilution molar dissolution enthalpy and Pitzer's parameters of the complex were obtained at 298 K. The complex's infinite dilution molar enthalpy of dissolution (ΔsHm∞) was determined to be (114.01±0.04) kJ·mol-1. The apparent relative molar enthalpy ΦL of the complex and the relative partial molar enthalpies (L1 and L2) of solute and solvent at different concentrations were calculated. Finally, the thermochemical cycle was designed according to the lattice potential energy and the infinite dilution molar dissolution enthalpy of the complex, and the hydration enthalpies of the complex and its D/L-lactate ion were calculated. Thermogravimetry and derivative thermogravimetry curves further revealed the structure of the complex. CCDC: 2099796.
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