Akaike's Information Criterion for Stoichiometry Inference of Supramolecular Complexes

“How do we decide the stoichiometry of host–guest complexes?” This question has long been answered by the Job plot since its first report in 1928. However, as the Job plot was claimed to be misleading in 2016, the question became an open question again and called for renewed investigations. An information-theoretic approach, called Akaike's information criterion, is introduced in this study to select the best model of host–guest complexes, which can rank the models with weight of evidence. A few test cases with unique cylindrical hosts were examined to demonstrate the applicability of the information-theoretic method. Consequently, reasonable views over the thermodynamic behaviors of dumbbell-and-cylinder complexes were obtained. Akaike's information criterion can be a useful and superior alternative to statistical null hypothesis testing, which was proposed as a remedy in place of the Job plot.     

Solubility characteristics of C60 fullerenes with two well‐defined polystyrene arms in a polystyrene matrix

Four samples of C₆₀‐(PS)₂, i. e., C₆₀ fullerenes with two low‐polydispersity PS arms at the 1,4‐positions, were studied with respect to their solubility and dispersion state in a PS (polystyrene) matrix by the UV spectroscopic method. C₆₀‐bearing polymers were found to be dispersed, in a blend film or a bulk film of itself, either monomolecularly or in aggregates, depending on the chain length of the polymer moiety and blend composition.     

Effect of Ampoule Rotation on Growth of InGaAs Ternary Bulk Crystals from Solution

In_xGa_1-xAs (x = 0.045) ternary bulk crystals were grown on GaAs seeds from an In–Ga–As solution by the temperature-difference method modified to rotate a growth ampoule. The effect of ampoule rotation on the profiles of the composition and the growth rate were investigated. The In compositional profiles were uniform irrespective of the ampoule rotation. On the other hand, the growth rate at the center of the crystal increased from 40 μm/h at 0 rpm to 55 μm/h at 100 rpm. The profile of growth rate changed from concave to convex toward the seed due to the ampoule rotation. Flow patterns and compositional profiles in the solution were simulated by solving four equations: Navier-Stokes, continuity, energy, and solute diffusion. The ampoule rotation enhanced the transportation of As component from the GaAs feed toward the seed at the central region in the solution. This led to the increase of the growth rate.