Selective desolvation in two-step nucleation mechanism steers crystal structure formation

Illustrated is a two-step nucleation process, where solute molecules in the solution are first partially desolvated to form locally dense liquid clusters followed by selective desolvation to yield crystalline solids.

Investigation of crystal structure formation by electropulse treatment of amorphous Ti50Ni25Cu25 alloy ribbons

The study of the effect of electropulse treatment with a variable duration on the crystallization processes and the structure of a amorphous TiNiCu alloy with 25 at.% Cu in comparison with isothermal annealing and heating at a constant speed was carried out. The alloy was fabricated by rapid-quenching from the liquid state (melt spinning technique) at the cooling rate of the melt of about 106 °C/s in the form of a ribbon with a thickness of 28 μm with a surface crystal layer with a thickness of about 2-3 μm. To remove the crystal layer, the method of double-sided electrochemical polishing was used. The studies were carried out by methods of differential scanning calorimetry, metallography and scanning electron microscopy. It was established that the formation of the crystalline phase in the electropulse treatment of the amorphous ribbon occurs from the surface to the inner part due to the predominant formation and growth of columnar crystals with subsequent nucleation and growth of crystals in the rest of the ribbon.

Influence of ligand composition on crystal structure formation – isostructurality and morphotropism

The replacement of an H-atom with a Me-group leads to the isostructurality of polymeric Ag(i) complexes, whereas it causes morphotropic adjustments in the parent ligands (discrete molecules).

The formation of the salt and neutral molecule cocrystal from equimolar solution of heliamine and bicyclo[2.2.1]hept-5-ene-endo-2,3-dicarboxylic acid

The possible interaction of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (heliamine) with bicyclo[2.2.1]hept-5-ene-endo-2,3-dicarboxylic acid anhydride has been studied. Instead of the reaction with heliamine, the acid anhydride was hydrolyzed into the appropriate dicarboxylic acid. An equimolar mixture of unreacted heliamine and in-situ-generated dicarboxylic acid crystallized in space group P21/c. The comprehensive study of the obtained crystals shows that the peculiarities of the crystallization process lead to the formation of the salt-cocrystal structure where the dianion interacts simultaneously with two cations forming a chain as the primary structural motif. The neutral molecules of dicarboxylic acid link the dianions of the neighbouring chains, forming a layer as the secondary structural motif. As a result, the stronger hydrogen bonds formed by the neutral molecules play a secondary role in the crystal structure formation.

Intermolecular interactions in crystals of benzene and its mono- and dinitro derivatives: study from the energetic viewpoint

The weak intermolecular interactions and their role in mono- and dinitrobenzene crystal structure formation have been studied using quantum-chemical calculations.