title: Exo-pi-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.
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.
authors.affiliation: Chemistry Department, Durham University Science Laboratories, South Road, Durham, UK.
authors.forename: Lynn A
authors.initials: LA
authors.lastname: Boyd
authors.forename: William
authors.initials: W
authors.lastname: Clegg
authors.forename: Royston C B
authors.initials: RC
authors.lastname: Copley
authors.forename: Matthew G
authors.initials: MG
authors.lastname: Davidson
authors.forename: Mark A
authors.initials: MA
authors.lastname: Fox
authors.forename: Thomas G
authors.initials: TG
authors.lastname: Hibbert
authors.forename: Judith A K
authors.initials: JA
authors.lastname: Howard
authors.forename: Angus
authors.initials: A
authors.lastname: Mackinnon
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Peace
authors.forename: Kenneth
authors.initials: K
authors.lastname: Wade