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]

Zeng-Bo KE ^{1, 2} ,
Xin-Hui FAN ^1,, ,
You-Ying DI ^2,, ,
Feng-Ying CHEN ² ,
Li-Jun ZHANG ² ,
Ke YANG ¹ ,
Bing LI ¹

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

Corresponding author: Xin-Hui FAN, fanxh2015@slxy.edu.cn You-Ying DI, diyouying@126.com
Received Date: 29 July 2022
Revised Date: 5 December 2022

Figures(10)

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 (Δ_sH_m^∞) 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.
- anhydrous lactate complex,
- Hirshfeld surface analysis,
- enthalpy of dissolution,
- Pitzer's parameters,
- lattice potential energy,
- hydration enthalpy
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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

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通讯作者: 陈斌, bchen63@163.com

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