Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation
Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation
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DOI：
10.1021/ja4046718
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发表时间：
2013-08-07
影响因子：
15
通讯作者：
Kawano, Masaki
中科院分区：
文献类型：
--
作者：
Ohtsu, Hiroyoshi;Choi, Wanuk;Kawano, Masaki
S-3是硫的基本同素异形体之一，但仍是一个神秘的不稳定物种。我们选择性地将S-3捕获在一个热稳定配位网络的孔中，并通过从头算X-射线粉末衍射分析确定了S-3的结构。S-3在一个孔隙中具有C-2、弯曲结构。被捕获的S-3网络在环境条件下非常稳定，对光照射是惰性的。在NH_4X(X=Cl或Br)存在下，通过机械研磨或加热可将网络中的S-3转化为S-6。光照射可将S-6基因反向转化为S-3基因。用从头算X-射线粉末衍射法确定了S-6的网络结构。
S-3 is one of the basic allotropes of sulfur but is still a mysterious labile species. We selectively trapped S-3 in a pore of a thermally stable coordination network and determined S-3 structure by ab initio X-ray powder diffraction analysis. S-3 in a pore has a C-2, bent structure. The network containing trapped S-3 is remarkably stable under ambient conditions and is inert to photoirradiation. S-3 in the network could be transformed to S-6 by mechanical grinding or heating in the presence of NH4X (X = Cl or Br). S-6 could be reverse-transformed to S-3 by photoirradiation. We also determined the structure of the network containing S-6 by ab initio X-ray powder diffraction analysis.