Boyd Lynn A, Clegg William, Copley Royston C B, Davidson Matthew G, Fox Mark A, Hibbert Thomas G, Howard Judith A K, Mackinnon Angus, Peace Richard J, Wade Kenneth
Chemistry Department, Durham University Science Laboratories, South Road, Durham, UK.
Dalton Trans. 2004 Sep 7(17):2786-99. doi: 10.1039/B406422D. Epub 2004 Aug 4.
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.
通过核磁共振（NMR）、X射线晶体学和计算研究，对在第二个笼状超碳原子上带有π-供体取代基（F、OH、O-、NH₂、NH-和CH₂-）的苯基邻碳硼烷衍生物的结构进行了研究。这些化合物的分子结构，特别是它们的笼状C1-C2距离以及π-供体取代基（OH、NH₂、NH-和CH₂-）的取向，随着外向π键合程度呈现出显著且系统的变化，而外向π键合程度正如预期的那样随取代基的π-供体特性而变化。
