Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2C2B10H10 (X = F, OH or NH2) and related anions
Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2C2B10H10 (X = F, OH or NH2) and related anions
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DOI：
10.1039/b406422d
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发表时间：
2004-01-01
影响因子：
4
通讯作者：
Wade, K
中科院分区：
文献类型：
--
作者：
Boyd, LA;Clegg, W;Wade, K
用NMR、X射线晶体学和计算方法研究了在第二笼超碳原子上带有π-给体取代基（F、OH、O-、NH_2、NH_4和CH_2-）的苯基邻碳硼烷衍生物的结构。这些化合物的分子结构，特别是它们的笼C1-C2距离和它们的π-供体取代基（OH、NH 2、NH-和CH 2-）的取向随着外π-键合的程度而显示出显著的和系统的变化，外π-键合的程度随着取代基的π-供体特征而变化。
The structures of derivatives of phenyl-ortho-carborane bearing on the second cage hypercarbon atom a pi-donor substituent (F, OH, O-, NH2, NH- and CH2-) were investigated by NMR, X-ray crystallography and computational studies. The molecular structures of these compounds, notably their cage C1-C2 distances and the orientations of their pi-donor substituents (OH, NH2, NH- and CH2-) show remarkable and systematic variations with the degree of exo pi-bonding, which varies as expected with the pi-donor characteristics of the substituent.