ABSTRACT

The synthesis and structure determination of five novel lanthanide complexes {[Ln(3,5-DmeoxBA)3(- phen)]2 (Ln = Pr(1) Nd (2), Sm (3), Eu (4), and Ho (5); 3,5-DmeoxBA = 3,5-Dimethoxybenzoate; phen = 1,10-phenanthroline)} are reported. In the isomorphous complexes 1 to 5, two Ln3+ ions are connected together by four bridging 3,5-DmeoxBA ligands. Each Ln3+ ion is octa-coordinated, yielding a distorted square-antiprism comformation. The thermal properties of the title complexes were investigated by simultaneous TG/DSC-FTIR techniques. The activation energy E values of the first decomposition stage for complexes 1 to 5 were calculated by integral iso-conversional non-linear (NL-INT) and Starink methods. Heat capacities of the five complexes were measured by differential scanning calorimetry (DSC). And the values of the experimental heat capacities were fitted to a polynomial equation with the leastsquares method. Furthermore, based on the fitted polynomial and thermodynamic equations, the smoothed heat capacities and thermodynamic functions (HT H298.15K), (ST S298.15K), and (GT G298.15K) were calculated. The fluorescent property of complex 4 was also studied.

Compounds

#	Formula	Name
1	C78H70N4O24Pr2	hexakis(3,5-dimethoxybenzoate)bis(1,10-phenanthroline)dipraseodymium(III)
2	C78H70N4Nd2O24	hexakis(3,5-dimethoxybenzoate)bis(1,10-phenanthroline)dineodymium(III)
3	C78H70N4O24Sm2	hexakis(3,5-dimethoxybenzoate)bis(1,10-phenanthroline)disamarium(III)
4	C78H70Eu2N4O24	hexakis(3,5-dimethoxybenzoate)bis(1,10-phenanthroline)dieuropium(III)
5	C78H70Ho2N4O24	hexakis(3,5-dimethoxybenzoate)bis(1,10-phenanthroline)diholmium(III)

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	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	57
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	22
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	57
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	22
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	57
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	22
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	57
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	22
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	57
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	DSC	22

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Crystal structures, luminescence, and thermodynamic properties of lanthanide complexes with 3,5-dimethoxybenzoic acid and 1,10-phenanthroline

Zheng, J.-R.[Jun-Ru], Ren, N.[Ning], Zhang, J.-J.[Jian-Jun], Zhang, D.-H.[Da-Hai], Yan, L.-Z.[Li-Zhen], Wang, S.-P.[Shu-Ping]

ABSTRACT