A comprehensive review of the thermodynamic properties of the oxide compounds of the lanthanide and actinide elements is presented. The available literature data for the solid, liquid, and gaseous state have been analysed and recommended values are presented. In case experimental data are missing, estimates have been made based on the trends in the two series, which are extensively discussed.

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The data on thermodynamic and molecular properties of the lithium and sodium hydroxides have been collected, critically reviewed, analyzed, and evaluated. Tables of thermodynamic properties (C; ,<1>0 =-(Go-HO(O)/T, So, HO-HO(O), tJ.fHo, tJ.rG°) of these hydroxides in the condensed and gaseous states have been calculated using the results of the analysis and some estimated values. The recommendations are compared with earlier evaluations given in the JANAF Thermochemical Tables and Thermodynamic Properties of Individual Substances. The properties considered are: the temperature and enthalpy of phase transitions and fusion, heat capacities, spectroscopic data, structures, bond energies. and enthalpies of formation at 298.15 K. The thermodynamic functions in solid, liquid, and gaseous states are calculated from T= 0 to 2000 K for substances in condensed phase and up to 6000 K for gases.

Gas-phase thermodynamic properties (enthalpy of formation, entropy, and heat capacity) are estimated for dibenzo-p-dioxin (DD), dibenzofuran (DF), 75 possible isomers of polychlorinated dibenzo-p-dioxins (PCDDs), and 135 of polychlorinated dibenzofurans (PCDFs). To estimate the enthalpy of formation values, the difference method is used that is completely consistent with the group additivity approach. Entropies and heat capacities are calculated by statistical thermodynamics using evaluated structural parameters and vibrational frequencies. Normal coordinate analysis is carried out for all isomers of PCDDs and PCDFs by transferring the force constants from polycyclic aromatic hydrocarbons, dibenzofuran, and chlorinated benzenes. The group additivity scheme with 10 parameters is developed to approximate calculated thermodynamic properties. Results obtained in this work are compared with published experimental and theoretical data.

The structural, spectroscopic, and thermochemical properties of three polyatomic molecules with internal rotation—HNO3(g), H2SO4(g), and H2O2(g)—have been reviewed. Three revised ideal gas thermodynamic tables result from this critical examination. The revisions involved the consideration of new spectroscopic information and the use of theoretical results to model the internal rotation in the H2SO4 molecule. Compared to previous calculations, the entropies at 298.15 K are unchanged for HNO3 and H2O2, but the high temperature values (T&gt;4000 K) are significantly different. As for H2SO4, its thermodynamic functions differ significantly from values calculated earlier.