Structural transformations and stability of benzo[a]pyrene under high pressure.

Benzo[a]pyrene (BaP), CH, is a representative of polycyclic aromatic hydrocarbons (PAHs), which are ubiquitous in nature and the universe, where they are subjected to extreme conditions. This paper reports the results of investigations of the high-pressure behavior of BaP up to 28 GPa using in situ synchrotron single-crystal X-ray diffraction. We identified two previously unknown polymorphs, BaP-II (P2/c) at 4.

Polymorphism of pyrene on compression to 35 GPa in a diamond anvil cell.

Structural studies of pyrene have been limited to below 2 GPa. Here, we report on investigations of pyrene up to ~35 GPa using in situ single-crystal synchrotron X-ray diffraction in diamond anvil cells and ab initio calculations. They reveal the phase transitions from pyrene-I to pyrene-II (0.

High-Pressure 16-YBr Polymorph Recoverable to Ambient Conditions: From 3D Framework to Layered Material.

Exfoliation of graphite and the discovery of the unique properties of graphene─graphite's single layer─have raised significant attention to layered compounds as potential precursors to 2D materials with applications in optoelectronics, spintronics, sensors, and solar cells. In this work, a new orthorhombic polymorph of yttrium bromide, 16-YBr was synthesized from yttrium and CBr in a laser-heated diamond anvil cell at 45 GPa and 3000 K. The structure of 16-YBr was solved and refined using in situ synchrotron single-crystal X-ray diffraction.

Synthesis of LaCN, TbCN, CeCN, and TbCN Polycarbonitrides at Megabar Pressures.

Inorganic ternary metal-C-N compounds with covalently bonded C-N anions encompass important classes of solids such as cyanides and carbodiimides, well known at ambient conditions and composed of [CN] and [CN] anions, as well as the high-pressure formed guanidinates featuring [CN] anion. At still higher pressures, carbon is expected to be 4-fold coordinated by nitrogen atoms, but hitherto, such CN-built anions are missing. In this study, four polycarbonitride compounds (LaCN, TbCN, CeCN, and TbCN) are synthesized in laser-heated diamond anvil cells at pressures between 90 and 111 GPa.

Extending carbon chemistry at high-pressure by synthesis of CaC and CaC with deprotonated polyacene- and para-poly(indenoindene)-like nanoribbons.

Metal carbides are known to contain small carbon units similar to those found in the molecules of methane, acetylene, and allene. However, for numerous binary systems ab initio calculations predict the formation of unusual metal carbides with exotic polycarbon units, [C] rings, and graphitic carbon sheets at high pressure (HP). Here we report the synthesis and structural characterization of a HP-CaC polymorph and a CaC compound featuring deprotonated polyacene-like and para-poly(indenoindene)-like nanoribbons, respectively.