Thermodynamics Research Center / ThermoML | Thermochimica Acta

Synthesis, Structural Characterization and Thermochemistry of Copper Pyridine 2,6-dicarboxylate

Zhong, W.-W.[Wen-Wen], Di, [You-Ying], Dou, J.-M.[Jian-Min], Tan, Z.-C.[Zhi-Cheng]
Thermochim. Acta 2013, 555, 23-9
ABSTRACT
Copper pyridine 2,6-dicarboxylate trihydrate (Cu(H2DPC)(DPC)*3H2O) was synthesized. X-ray crystallography, chemical analysis, and elemental analysis were applied to characterize the structure and composition of the complex. Low-temperature heat capacities of the complex were measured with a small sample automated adiabatic calorimeter. The smoothed molar heat capacities and thermodynamic functions of the complex relative to the standard reference temperature 298.15 K were calculated based on the fitted polynomial equation. A reasonable thermochemical cycle was designed, and the standard molar enthalpies of dissolution for the reactants and products of the synthesis reaction in a selected solvent were measured by an isoperibol solution-reaction calorimeter. Eventually, the standard molar enthalpy of formation of the title complex was calculated as - (2389.92 +/- 2.53) kJ.mol-1 by the Hess thermochemical cycle. In addition, the reliability of the designed thermochemical cycle was verified by UV-Vis spectroscopy.
Compounds
# Formula Name
1 C7H5NO4 pyridine-2,6-dicarboxylic acid
2 H2O water
3 Cu copper
4 H2 hydrogen
5 N2 nitrogen
6 C graphite
7 O2 oxygen
8 C14H14CuN2O11 cuprate(2-), bis[2,6-pyridinedicarboxylato(2-)-N1,O2,O6]-, dihydrogen, trihydrate, (OC-6-11')-
9 C2H4O2 acetic acid
10 C4H8CuO5 copper(II) acetate hydrate
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 8
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 8
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 120
  • RXND
  • 9
  • 1
  • 10
  • 8
  • 2
  • Molar enthalpy of reaction, kJ/mol
  • Solution calorimetry
  • 1
  • RXND
  • 3
  • 8
  • 4
  • 5
  • 6
  • 7
  • Molar enthalpy of reaction, kJ/mol
  • Solution calorimetry
  • 1