Funnell Nicholas P, Bull Craig L, Ridley Christopher J, Parsons Simon, Tellam James P
ISIS Neutron and Muon Facility, Rutherford Appleton Laboratory, Chilton, UK.
EaStCHEM School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh, The King's Buildings, West Mains Road, Edinburgh, UK.
Chem Commun (Camb). 2020 Jun 11;56(47):6428-6431. doi: 10.1039/d0cc02418j.
The crystal structure of the small organic molecule, alloxan, has been explored using high-pressure neutron diffraction; its already efficiently-packed structure provides a 'chemical head-start' on the pressure experiment. At the highest pressure measured, alloxan reaches a density of 2.36 g cm-3-unprecedented for a C, H(D), N, O-containing organic material of appreciable molecular weight. Its crystal structure is stable until ca. 6.5 GPa above which the sample starts to undergo amorphisation.
已通过高压中子衍射对小分子有机化合物四氧嘧啶的晶体结构进行了研究;其本身已经高效堆积的结构为压力实验提供了一个“化学先机”。在测量的最高压力下,四氧嘧啶的密度达到2.36 g/cm³,这对于具有可观分子量的含C、H(D)、N、O的有机材料来说是前所未有的。其晶体结构在约6.5 GPa以下是稳定的,超过该压力后样品开始发生非晶化。