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Carbon-boron clathrates as a new class of sp3-bonded framework materials

机译:Carbon-Boron Clathrates作为新的SP3粘合框架材料

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Carbon-based frameworks composed of sp 3 bonding represent a class of extremely lightweight strong materials, but only diamond and a handful of other compounds exist despite numerous predictions. Thus, there remains a large gap between the number of plausible structures predicted and those synthesized. We used a chemical design principle based on boron substitution to predict and synthesize a three-dimensional carbon-boron framework in a host/guest clathrate structure. The clathrate, with composition 2Sr@B 6 C 6 , exhibits the cubic bipartite sodalite structure (type VII clathrate) composed of sp 3 -bonded truncated octahedral C 12 B 12 host cages that trap Sr 2+ guest cations. The clathrate not only maintains the robust nature of diamond-like sp 3 bonding but also offers potential for a broad range of compounds with tunable properties through substitution of guest atoms within the cages.
机译:由SP 3粘接组成的碳基框架代表了一类极轻的强力材料,但只有钻石和少量的其他化合物尽管有许多预测。因此,在预测的合理结构的数量和合成的结构之间仍然存在很大的差距。我们利用了基于硼替代的化学设计原理,以预测并在主机/客体克拉酸盐结构中综合三维碳硼框架。具有组合物2SR @ B 6 C 6的Clathrate展示了由SP 3咔哒声八面体C 12 B 12主持人组成的立方二胞石结构(VII Clathrate型),该组成陷阱SR 2+客人阳离子。 Clathrate不仅维持钻石状SP 3粘接的强大性质,而且还通过替换笼内的客体原子来提供具有可调性质的广泛化合物的潜力。

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