13-vertex carbacobaltaboranes: Synthesis and molecular structures of the 4,1,6-, 4,1,8- and 4,1,12-isomers of Cp*CoC2B10H12
13-vertex carbacobaltaboranes: Synthesis and molecular structures of the 4,1,6-, 4,1,8- and 4,1,12-isomers of Cp*CoC2B10H12
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13-顶点碳硼烷：Cp*CoC2B10H12 4,1,6-、4,1,8-和4,1,12-异构体的合成和分子结构
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发表时间：
2002
期刊：
影响因子：
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通讯作者：
A. J. Welch
中科院分区：
文献类型：
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作者：
A. Burke;R. McIntosh;D. Ellis;G. Rosair;A. J. Welch
已知化合物4-CP-4，1，8-Closo-CoC2 B 1 0 H 1 2和4-CP-4，1，12-Closo-CoC 2 B 1 0 H 1 2的尝试结晶学研究失败了，因为无序是不可能令人满意地模拟的。合成了4-CP*-4，1，6-Closo-CoC2 B10 H12，4-CP*-4，1，8-Closo-CoC2 B10 H12和4-CP*-4，1，12-Closo-CoC2 B10 H12。这些化合物的~1B-核磁共振波谱性质与它们的CP类似物非常相似。对这三种化合物进行了结晶学研究。4，1，8-和4，1，12-化合物是同构和部分无序的，但这种无序被成功地模拟，并首次报道了4，1，8-和4，1，12-MC2B10化合物的结构分析。报道了一种在杂碳烷的结晶学研究中区分笼状C和B原子的新技术。12个顶点的化合物3-CP*-3，1，2-Closo-CoC2 B9 H 1 1与4-CP*-4，1，6-Closo-CoC2 B 1 0 H 1 1一起形成了少量的副产物，被认为是后者部分降解的结果。12个顶点的物种也进行了结晶学分析。
Attempted crystallographic studies of the known compounds 4-Cp-4,1,8-closo-CoC 2 B 1 0 H 1 2 and 4-Cp-4,1,12-closo-CoC 2 B 1 0 H 1 2 were frustrated because of disorder which was impossible satisfactorily to model. Thus the family of Cp* compounds 4-Cp*-4,1,6-closo-CoC 2 B 1 0 H 1 2 , 4-Cp*-4,1,8-closo-CoC 2 B 1 0 H 1 2 and 4-Cp*-4,1,12-closo-CoC 2 B 1 0 H 1 2 were prepared. The 1 1 B NMR spectroscopic properties of these compounds are closely similar to those of their Cp analogues. All three compounds were studied crystallographically. The 4,1,8- and 4,1,12-species are isomorphous and partially disordered, however the disorder was successfully modelled and structural analyses of 4,1,8- and 4,1,12-MC 2 B 1 0 compounds are reported for the first time. A new technique for distinguishing between cage C and B atoms in crystallographic study of (hetero)carboranes is reported. The 12-vertex compound 3-Cp*-3,1,2-closo-CoC 2 B 9 H 1 1 is formed as a minor co-product along with 4-Cp*-4,1,6-closo-CoC 2 B 1 0 H 1 2 and is believed to result from partial degradation of the latter. The 12-vertex species has also been subjected to crystallographic analysis.