Structure of 1,2-diphenylcarbaborane, 1,2-Ph2-1,2-closo-C2B10H10

Structures of [HNEt3]+ and [Me3NCH2C6H5]+ salts of [7,8-Ph2-7,8-nido-C2B9H10]–

“…This is an important result since it shows that aryl-bearing cage C atoms can approach to within reasonably short distances [for comparison,is 1.542 (4) A ] and it supports the conclusion (Lewis & Welch, 1993a) that there is an electronic contribution to the long C(cage)--C(cage) connectivity in 1,2-Ph2-1,2-closo-C2BloHlo at low 0 values. In fact, the change in the C(cage)--C(cage) length is only one of three measurable structural differences between 1, Table 5 summarizes the relevant parameters and shows that from 1, [7,- ([HNEt3] + salt, 50% thermal ellipsoids, except for H atoms which have artificial radii of 0.1 A for clarity).…”

“…Inclusion of one or both phenyl rings in the misfit calculations has the expected results; the {C2BI0 [C(81) (Lewis & Welch, 1993a). This is an important result since it shows that aryl-bearing cage C atoms can approach to within reasonably short distances [for comparison,is 1.542 (4) A ] and it supports the conclusion (Lewis & Welch, 1993a) that there is an electronic contribution to the long C(cage)--C(cage) connectivity in 1,2-Ph2-1,2-closo-C2BloHlo at low 0 values.…”

“…~ Introduction. The preceding paper (Lewis & Welch, 1993a) reports the molecular structure of 1,2-Ph2-1,2-closo-C2BloHlo, noting the relatively long C(1)---C(2) connectivity [1.727 (6) A averaged over the two crystallographically independent molecules] and the low 0 values [0 is the average difference between 90 ° and the moduli of the C(cage)---C(cage)--C--C torsion angles] that describe the molecular conformation. Our interest in diphenylcarbaborane rests primarily in its use as a ligand to d-and f-block metals, predominantly in the partially degraded form [7, 2-[note the change in conventional numbering between related closo and nido polyhedra (Casey, Evans & Powell, 1983)].…”

Carborane radical anions: spectroscopic and electronic properties of a carborane radical anion with a 2n + 3 skeletal electron count

“…5 The other members of the series, with the underlying molecular and electronic structure. In the interests of maintaining internal consistency in comparisons of 1 and [1] -, and as a check of the computational methods employed, compound 1, which has been structurally characterised by X-ray crystallography, 11 was also examined at the same level of theory.…”

Steric Effects in Heteroboranes. III. 1-Ph-2-Me-1,2-closo-C2B10H10

“…In the first two papers in this series (Lewis & Welch, 1993;Baghurst et al, 1993) we have demonstrated that unusual polyhedral structures and unusually facile polyhedral isomerizations can result as a consequence of intramolecular crowding in carbametallaboranes. These findings have prompted us to study the stereochemical consequences of systematically varying the amount of crowding within a homologous series of heteroboranes.…”