Gui, Yue published the artcilePolymorphic selectivity in crystal nucleation, Computed Properties of 21829-25-4, the main research area is polymorphic selectivity crystal nucleation glass forming liquid.
Crystal nucleation rates were measured in the supercooled melts of 2 richly polymorphic glass-forming liquids: 5-Me-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY) and nifedipine (NIF). ROY is known for its crystals of red, orange, and yellow colors and many polymorphs of solved structures. Of the many polymorphs, ON (orange needles) nucleates the fastest with the runner up (Y04) trailing by a factor of 103 when compared under the same mobility-limited condition, while the other unobsd. polymorphs are slower yet by â? orders of magnitude. Of the 6 polymorphs of NIF, γ’ nucleates the fastest, β’ is slower by a factor of 10, and the rest are slower yet by â? decades. In both systems, the faster-nucleating polymorphs are not built from the lowest-energy conformers, while they tend to have higher energies and lower densities and thus greater similarity to the liquid phase by these measures. The temperature ranges of this study covered the glass transition temperature Tg of each system, and no evidence that the nucleation rate is sensitive to the passage of Tg were found. At the lowest temperatures studied, the rates of nucleation and growth are proportional to each other, indicating that a similar kinetic barrier controls both processes. The classical nucleation theory provides an accurate description of the observed nucleation rates if the crystal growth rate is used to describe the kinetic barrier for nucleation. The quant. rates of both nucleation and growth for the competing polymorphs enable prediction of the overall rate of crystallization and its polymorphic outcome. (c) 2022 American Institute of Physics.
Journal of Chemical Physics published new progress about Conformers. 21829-25-4 belongs to class pyridine-derivatives, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, Computed Properties of 21829-25-4.