Published in
Royal Society of Chemistry, Dalton Transactions, 17, p. 2786-2799, 2004
DOI: 10.1039/b406422d
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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-1,2-C2B10H10 (X = F, OH or NH2) and related anions.
,
Royston C. B. Copley,
Matthew G. Davidson,
Mark A. Fox ,
Thomas G. Hibbert,
Judith A. K. Howard,
Angus Mackinnon,
Richard J. Peace,
Kenneth Wade
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Abstract
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.