High-pressure polymorphs of organic compounds with interactions involving nitrogen atoms

ORGANIC CHEMISTRY Organic Compounds containing Nitrogen

High-pressure polymorphs of anatase TiO2

Formation of xenon-nitrogen compounds at high pressure

Molecular nitrogen exhibits one of the strongest known interatomic bonds, while xenon possesses a closed-shell electronic structure: a direct consequence of which renders both chemically unreactive. Through a series of optical spectroscopy and x-ray diffraction experiments, we demonstrate the formation of a novel van der Waals compound formed from binary Xe-N2 mixtures at pressures as low as 5 ...

Theoretical compressibilities of high-pressure ZnTe polymorphs

We report the results of a theoretical study of structural, electronic, and pressure-induced phase transition properties in ZnTe. Total energies of several high-pressure polymorphs are calculated using the density functional theory ~DFT! formalism under the nonlocal approximation. Thermal effects are included by means of a nonempirical Debye-like model. In agreement with optical absorption data...

Understanding of Noncovalent Interactions Involving Organic Fluorine

Due to the unpredictable nature of organic fluorine in its participation in the formation of different supramolecular motifs which concomitantly influences the physicochemical properties of the compounds of interest, the study of noncovalent interactions involving organic fluorine will always be an expanding area of research amongst the scientific community. The participation of organic fluorin...