publication . Article . Other literature type . 2004

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

Kenneth Wade; Thomas G. Hibbert; Richard J. Peace; Judith A. K. Howard; Lynn A. Boyd; Angus Mackinnon; Mark A. Fox; William Clegg; Matthew G. Davidson; Royston C. B. Copley;

Open Access

Published: 01 Aug 2004

Publisher: Royal Society of Chemistry

Country: United Kingdom

Summary

Abstract

The structures of derivatives of phenyl-ortho-carborane bearing on the second cage hypercarbon atom a π-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 π-donor substituents (OH, NH2, NH− and CH2−) show remarkable and systematic variations with the degree of exo π-bonding, which varies as expected with the π-donor characteristics of the substituent.

doi: 10.1039/b406422d

Subjects

free text keywords: Cage, Chemistry, Icosahedral symmetry, Carborane, Crystallography, Substituent, chemistry.chemical_compound, Atom

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