778595-92-9Relevant academic research and scientific papers
Charge distribution within hypercarbon-halogenated 1-Ph-2-X-1,2-dicarba- closo-dodecaboranes, (X = F, Cl, Br, I): A dipole moment and computational study
Hnyk, Drahomír,V?ete?ka, Václav,Dro?, Ladislav
, p. 246 - 249 (2011/01/07)
Vector analyses of experimental dipole moments of a series of halogenated 1-Ph-2-X-1,2-dicarba-closododecaboranes, (X = F, Cl, Br, I) combined with theoretical calculations show that there are intramolecular contacts between heavy halogens (Br and I) and the benzene ring, whereas this attraction is absent for F and Cl.
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-C2B10H 10 (X = F, OH or NH2) and related anions
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
, p. 2786 - 2799 (2007/10/03)
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.
