High pressure supramolecular chemistry

Surface Ligand Tuning of Coordination Geometry and Pb 6s2 Electronic Pair Stereochemical Activity in MAPbBr3 Perovskite Nanoparticles: A Joint Experimental and Theoretical Insight

“…17 In addition, compared with the spectrum of the MCs, both the C−H stretching (2931 cm −1 ) and N−CH 3 bending modes (1473 cm −1 ) in NPs exhibit a shift to lower wavenumbers, respectively, suggesting that the −NH 3 + group of APTES is bonded with Br − on the NP surface by hydrogen bonds. 32,33 Furthermore, the spectrum for NPs shows the characteristic bands generated from the hydrolysis of APTES (a broad O−H asymmetric stretching band from 3300 to 3600 cm −1 , the stretching vibration of Si−O at 1126 and 1038 cm −1 , and the Si−OH bands at 926 cm −1 ), 14,34,35 consolidating the surface capping of NPs with the cross-linked silica network. Another powerful tool to unravel ligand−NP binding is NMR spectroscopy.…”

A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K+·C5H4N5O−·H2O

“…Detailed information on the effect of pressure and temperature on the intermolecular distances in biomolecules helps to rationalize the stability of extremophiles, to develop the techniques for inactivating pathogens (important for food and pharmaceutical industries), and to model the conformational changes that occur when the biomolecules are involved in biochemical reactions (Kahn et al, 2007;Fourme et al, 2009;Ascone et al, 2010;Cioni & Gabellieri, 2011;Boldyreva, 2012;Fourme et al, 2012;Wang et al, 2014;Kurpiewska et al, 2016;Colloc'h et al, 2017;Prange ´et al, 2022;Girard et al, 2022). High-pressure small-molecule crystallography can also contribute to understanding and predicting the response of biological macromolecules from model studies of crystals composed of their fragments (Boldyreva, 2012).…”

Biaxial Hard Compression, Anisotropic Elastic Property, and Pressure-Induced Isosymmetric Phase Transition in Ammonium Bicarbonate

“…For the directional and soft nature, hydrogen bonds exhibit many changes under pressure, including normal compression, distortion, generation, break, and so on. Various organic hydrogen-bonding materials have been extensively studied under high-pressure conditions. − For instance, hydrogen bonds play an important role in studying the pressure-induced polymorphic transitions of amino acids, pharmaceuticals, energetic materials, and other materials containing hydrogen bonds. − Pressure-induced symmetrization of hydrogen bonds in water or other molecules has long been of interest to scientists. , Accordingly, the study of hydrogen bonds under pressure is an essential step in revealing the “structure–property” relationships of hydrogen-bonding materials. − …”

“…For the soft nature of hydrogen bonds, hydrogen-bonding crystals tend to show soft mechanical properties with a large compressibility under pressure. − ,− Mechanically robust hydrogen bonds and hard compression with small and even negative compressibility (NC, including negative linear compressibility, NLC, and negative area compressibility, NAC) of hydrogen-bonding crystals are rarely reported. − Among the abovementioned hard compression hydrogen-bonding crystals, there are only three reports on the biaxial hard compression, which suggest that biaxial hard compression is more difficult to achieve and is a rarer mechanical property compared with uniaxial hard compression. − Therefore, investigating biaxial hard compression, especially its structural origin, is urgent to be carried out. Based on the “structure–property” relationship, structure determines property.…”