A binuclear holmium(III) benzoate 1,10-phenanthroline ternary complex, [Ho(BA)3phen]2, was synthesized and characterized by elemental analysis, IR and UV spectroscopy, molar conductance, single crystal X-ray diffraction, and thermogravimetric/differential thermogravimetric (TG-DTG) techniques. The crystal of the complex is in a triclinic crystal system, space group p with a = 10.7162(18) A, b = 11.845(3) A, c = 12.227(2) A, a = 105.141(11)deg , ss = 93.845(8)deg , ? = 112.880(5)deg , and Z = 1. Each Ho(III) cation in the crystal is eight-coordinated including two O atoms of one chelating bidentate carboxylate group, four O atoms of four bridging bidentate carboxylate groups, and two N atoms of one 1,10-phenanthroline molecule, yielding a distorted square antiprismatic comformation. The thermal analysis of [Ho(BA)3phen]2 has been performed by simultaneous TG/DSC-FTIR techniques. By the Malek method, SB(m,n) was defined as a kinetic model for the second-step thermal decomposition. The activation energy E of this step is 296.99 kJ*mol-1, and the pre-exponential factor ln A is 39.99 s-1. The thermodynamic parameters, Gibbs energy (?G?), enthalpy (?H?), and entropy (?S?) of activation, at the peak temperatures were also calculated. The heat capacity of [Ho(BA)3phen]2 was measured by differential scanning calorimetry (DSC) over the temperature range from (254 to 470) K. In addition, the values of the experimental heat capacities were fitted to a polynomial equation with the least-squares method.
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
1
Molar heat capacity at constant pressure, J/K/mol ; Crystal