ABSTRACT

Heat capacities of six synthesized complex compounds with apical substituted pyridine ligands were studied by adiabatic calorimetry (AC), differential scanning calorimetry (DSC), and computer simulation. Thermodynamic properties were calculated from experimental heat capacity data and by computer simulation. It was shown that below the structural phase transition temperatures the lattice component of heat capacity has the similar values for all studied complexes and above this temperature structural changes are determined by the nature of apical ligand.

Compounds

#	Formula	Name
1	C38H50Cu2N2O8	dicopper tetrapivalate, bis-quinoline complex
2	C34H54Cu2N2O8	dicopper tetrapivalate, bis-2,3-dimethylpyridine complex
3	C30H49Cu2N6O8	dicopper tetrapivalate, bis-2,6-diaminopyridine complex
4	C32H51Cu2N4O8	dicopper tetrapivalate, bis-2-amino-6-methylpyridine complex
5	C30H47Cu2N4O8	dicopper tetrapivalate, bis-2-aminopyridine complex
6	C30H48Cu2N4O8	dicopper tetrapivalate, bis-3-aminopyridine complex

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	1	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	1	Triple point temperature, K ; Crystal 3			Crystal 3 Crystal 2 Gas	Adiabatic calorimetry	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3			Crystal 3 Crystal 2 Gas	Adiabatic calorimetry	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 3	Temperature, K; Crystal 3	Pressure, kPa; Crystal 3	Crystal 3	Small (less than 1 g) adiabatic calorimetry	26
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	5
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	14
POMD	1	Molar entropy, J/K/mol ; Crystal 3	Temperature, K; Crystal 3	Pressure, kPa; Crystal 3	Crystal 3	Small (less than 1 g) adiabatic calorimetry	25
POMD	1	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	4
POMD	1	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	14
POMD	1	Molar enthalpy, kJ/mol ; Crystal 3	Temperature, K; Crystal 3	Pressure, kPa; Crystal 3	Crystal 3	Small (less than 1 g) adiabatic calorimetry	25
POMD	1	Molar enthalpy, kJ/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	4
POMD	1	Molar enthalpy, kJ/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	14
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	22
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	19
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	19
POMD	5	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	31
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	14
POMD	5	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	31
POMD	5	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	14
POMD	5	Molar enthalpy, kJ/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	31
POMD	5	Molar enthalpy, kJ/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	13
POMD	6	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	6	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	32
POMD	6	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	32
POMD	6	Molar enthalpy, kJ/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	32
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	7
POMD	6	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	7
POMD	6	Molar enthalpy, kJ/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	7

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermodynamic properties of tetrabridged binuclear copper complexes with apical substituted pyridine ligands

Dobrokhotova, Z. V.[Zn.V.], Fomina, I. G., Gavrichev, K. S., Tyurin, A. V., Ryumin, M. A., Bykov, M. A., Emelina, A. L., Kiskin, M. A., Fazylbekov, M. F., Eremenko, I. L.

ABSTRACT