压缩条件下氦在毒砂中的有序捕获：He2As4O6的合成
Helium ordered trapping in arsenolite under compression: Synthesis of He2As4O6
摘要：
本文从实验和理论两个方面研究了砷石（立方As_2O_3）的压缩过程。实验X射线衍射和拉曼散射测量的这种分子固体在高压下与不同的压力传输介质已被解释与从头计算的帮助。我们的研究结果证实砷石作为最软的矿物之一，在没有氢键和提供的证据氦捕获以上3 GPa之间的金刚烷型As4O6笼，从而导致一个新的化合物与化学计量He2As4O6。氦的捕获改变了毒砂的所有性质。特别是，压力引起的非晶化，这发生在纯砷石高于15 GPa，阻碍当他被困之间的As4O6笼，从而导致在超过30 GPa的He2As4O6的机械稳定性。我们的工作为通过压缩改变其他分子固体的性质铺平了道路，这取决于它们捕获相对较小的原子或分子物种并形成新化合物的能力。此外，我们的工作表明，与其他压力传递介质相比，用惰性气体如氦气压缩分子固体可能会导致意想不到的结果。
英文摘要：
The compression of arsenolite (cubic As2O3) has been studied from a joint experimental and theoretical point of view. Experimental X-ray diffraction and Raman scattering measurements of this molecular solid at high pressures with different pressure-transmitting media have been interpreted with the help of ab initio calculations. Our results confirm arsenolite as one of the softest minerals in absence of hydrogen bonding and provide evidence for helium trapping above 3 GPa between adamantane-type As4O6 cages, thus leading to a new compound with stoichiometry He2As4O6. Helium trapping alters all properties of arsenolite. In particular, pressure-induced amorphization, which occurs in pure arsenolite above 15 GPa, is impeded when He is trapped between the As4O6 cages; thus resulting in a mechanical stability of He2As4O6 beyond 30 GPa. Our work paves the way for the modification of the properties of other molecular solids by compression depending on their ability to trap relatively small atomic or molecular species and form new compounds. Furthermore, our work suggests that compression of molecular solids with noble gases as helium could result in unexpected results compared to other pressure-transmitting media.
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