Triphenyl(tetrahydrofuranyl)boron

Abstract

The title compound, (C6Hs)3B(C4H80), is monomeric and contains a B atom in a distorted tetrahedral coordination environment bonded to three phenyl groups and one thf moiety. The phenyl groups and thf are canted and the (ligand)mB--(ligand) angles fall within the range 104.2(2)-116.3(3) ° .

Crystal Structure of the Molecular Addition Compound Diphenylchloroborane·Tetrahydrofuran

“…The B−O bond is marginally shorter in 2 than in the (computed) Cl 3 B·OMe 2 (1.633 Å) 9 because the carbon atoms of the phenyl groups take up less room around the boron atom than chlorine ligands, allowing closer approach of the ether oxygen in 2 . The B−O bond in 2 is shorter than in Ph 3 B·THF (1.660(4) Å), despite the presence of the chlorine, because the positive charge on boron in 2 is greater than in Ph 3 B·THF. This short B−O bond in 2 is at the expense of a long B−Cl bond; the presence of three first-row elements in the coordination sphere of boron forces the remaining, more weakly held chlorine ligand out further than in comparable trichloroborane complexes (Cl 3 B·OMe 2 , 1.831 and 1.844 Å; Cl 3 B·NMe 3 , 1.839(9) and 1.827(9) Å) .…”

“…The most pertinent comparisons to draw, then, are between similar four-coordinate ether solvates. Experimental data are available for Ph 3 B·THF but, of course, not for the reactive Cl 3 B·THF. However, a model of Cl 3 B·OMe 2 has been recently computed at the B3LYP density functional level …”

Preparation of the Metallocene Oxide Cluster Compound [(Cp2Zr)3(μ2-OH)3(μ3-O)+]BPh4- by Hydrolysis of Jordan's Cation [Cp2ZrCH3(THF)+]BPh4-

“…A tentative reaction sequence is provided with the Supporting Information . There is some indication that the formation of triphenylborane indeed makes a significant contribution to the overall reaction scheme: from the THF mother liquor of the synthesis of 1 + BPh 4 - on a preparative scale single crystals of the adduct THF·BPh 3 ( 3 ) were obtained and identified by X-ray diffraction (see Figure ) 2 Molecular structure of THF·BPh 3 ( 3 ), the byproduct obtained in the hydrolysis reaction of [Cp 2 ZrCH 3 (THF) + ]BPh 4 - .…”