Inclusion compounds of a diol host with xylidines: controlled stoichiometries.
The diol host, 1,1'-bis-(4-hydroxyphenyl)cyclohexane (DHPC) and a number of xylidine isomers as guests formed a series of inclusion compounds that gave rise to various host:guest ratios controlled by crystallization temperatures. For the host DHPC with a particular xylidine isomer, the number of guests included generally decreases as the crystallization temperature increases. The crystal structures of these host-guest compounds were elucidated using single-crystal X-ray diffraction. Their thermal stabilities were characterized by TG and DSC analysis. The selectivity of enclathration by the host was measured by carrying out a series of competition experiments. The kinetics of guest decomposition were studied using isothermal and non-isothermal methods and reconciled with the crystal structures.
Complexation of some phenol hosts with quinoline N-oxide and the structural studies of their complexes by X-ray crystallography
The 1:1 inclusion complexes of phenol hosts, 4,4'-isopropylidenebisphenol, 4,4'-cyclohexylidenebisphenol, and 4-(1,1,3,3-tetramethylbutyl)phenol, with quinoline N-oxide were obtained in good yields. Single-crystal X-ray structural analyses revealed the molecular arrangement of the inclusion complexes.
Thermodynamics on the Carbochlorination of Titanium-bearing Ores
The equilibrium compositions of the multi-component, multi-phase and multi-reaction system of carbochlorination of titanium-bearing ores are calculated with HSC, a computational chemistry software. The thermodynamic equilibrium calculation of the reaction system shows that a complete conversion of titanium-bearing ores is feasible at a temperature near 200oC. At temperatures ranging from 800 to 1600oC, the products of the reaction system are all in gaseous phase. Thermodynamic analysis accords with the industrial practice. The simulated results provide reasonable scientific basis for improving suitable technological conditions of the carbochlorination reduction.