Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Synthesis, structure, and thermodynamics of a lanthanide coordination compound incorporating 5-nitroisophthalic acid

Wang, X.-l.[Xiao-ling], Xia, Z.-Q.[Zheng-Qiang], Wei, W.[Wei], Xie, G.[Gang], Chen, S.-P.[San-Ping], Gao, S.-L.[Sheng-Li]
J. Chem. Thermodyn. 2012, 55, 124-129
ABSTRACT
A lanthanide coordination compound, [Sm3(5-nip)4(5-Hnip)(H2O)7 9H2O]n (5-H2nip = 5-nitroisophthalic acid), has been synthesized and characterized by elemental analysis, IR, TG-DSC, and single-crystal X-ray diffraction. Structural analysis reveals that the compound features two kinds of 1D channels with guest water molecules. TG-DSC curves show that the dehydrated product of the compound exhibits high stability up to 673 K. The enthalpy change of reaction of formation in water, DrHh m(l), was determined to be (27.608 +- 0.133) kJ mol 1 at (298.15 +- 0.01) K by microcalorimetry. Based on a designed thermochemical cycle and other auxiliary thermodynamic data, the enthalpy change of reaction of formation in solid at (298.15 +- 0.01) K and the standard molar enthalpy for the compound, DrHh m(s) and DfHh m, were calculated to be (96.8 +- 0.8) kJ mol 1 and ( 831.4 +- 16.0) kJ mol 1, respectively. In addition, thermodynamics and thermokinetics of the reaction of formation of the compound were investigated in water.
Compounds
# Formula Name
1 Sm samarium
2 H2 hydrogen
3 N2 nitrogen
4 C graphite
5 O2 oxygen
6 C40H47N5O46Sm3 heptaaquabis(.mu.-(5-nitro-1,3-benzenedicarboxylato(2-)-.kappa.O1:.kappa.O1,.kappa.O'1))(.mu.-(5-nitro-1,3-benzenedicarboxylato(2-)-.kappa.O1:.kappa.O'1))(5-nitro-1,3-benzenedicarboxylato(2-)-.kappa.O1)(5-nitro-1,3-benzenedicarboxylato(2-)-.kappa.O1,.kappa.O'1)trisamarium nonahydrate
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
  • 6
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • RXND
  • 1
  • 6
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Solution calorimetry
  • 1