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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >A comparison of the solid-state structures of a series of phenylseleno-halogen and pseudohalogen compounds, PhSeX (X = Cl, CN, SCN)
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A comparison of the solid-state structures of a series of phenylseleno-halogen and pseudohalogen compounds, PhSeX (X = Cl, CN, SCN)

机译:一系列苯基硒代卤素和假卤素化合物PhSeX(X = Cl,CN,SCN)的固态结构比较

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摘要

Structaral and spectroscopic data on the series of compounds "PhSeX", where X = Cl, CN or SCN, are reported and compared with previously reported data on "PhSeX" systems (X = Br and I). The chloro-compound displays a "square" motif, Ph4Se4Cl4, in the solid state, linked by long Se-Se bonds [2.993(3)-3.035(3) angstrom], and forms a loosely held network of Se-4 and Cl-4 squares in its extended structure. In contrast, the pseudohalogen derivatives, PhSeCN and PhSeSCN, consist of essentially monomeric units, which form chains held together by weak Se center dot center dot center dot N interactions in the solid state. These Se center dot center dot center dot N interactions are much shorter in PhSeCN, 3.023(3)-3.065(4) angstrom, than in PhSeSCN, 3.348(4) angstrom. Weaker Se center dot center dot center dot N contacts are also present between the chains. The structure of PhSeSCN described here is the first reported crystallographic study of a selenium thiocyanate compound. Spectroscopic studies suggest that all three compounds exist as monomers in solution. The results reported herein illustrate the subtle differences in the solid-state structures of PhSeX compounds. (c) 2006 Elsevier Ltd. All rights reserved.
机译:报告了一系列化合物“ PhSeX”的结构和光谱数据,其中X = Cl,CN或SCN,并与先前报告的“ PhSeX”系统数据(X = Br和I)进行了比较。氯化合物在固态下显示一个“方形”基序Ph4Se4Cl4,通过长的Se-Se键[2.993(3)-3.035(3)埃]连接,并形成一个松散的Se-4和Cl网络在其扩展结构中为-4平方。相比之下,假卤素衍生物PhSeCN和PhSeSCN基本上由单体单元组成,这些单元通过固态下弱的Se中心点中心点中心点中心点N相互作用形成保持在一起的链。这些Se中心点中心点中心点N的相互作用在PhSeCN中为3.023(3)-3.065(4)埃,比在PhSeSCN中为3.348(4)埃要短得多。链之间也存在较弱的Se中心点中心点中心点N个触点。本文描述的PhSeSCN的结构是硫氰酸硒化合物的首次晶体学研究报道。光谱研究表明,所有三种化合物均以单体形式存在于溶液中。本文报道的结果说明了PhSeX化合物固态结构的细微差异。 (c)2006 Elsevier Ltd.保留所有权利。

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