681812-01-1

Upstream product

• 444-40-6 2,4,6-tris(trilfuoromethyl)phenyllithium 
• 76-83-5 trityl chloride 
• 10294-34-5 boron trichloride 
• 729-81-7 1,3,5-tris(trifluoromethyl)benzene 

Downstream Products

• 179923-31-0 2,4,6-(F₃C)3C₆H₂B(OH)2 

Relevant academic research and scientific papers

The Bis(η6-benzene)lithium Cation: A Fundamental Main-Group Organometallic Species

The synthesis and characterization of the bis(η6-benzene)lithium cation, the benzene metallocene of the lightest metal, is reported. The boron compound FmesBCl2 [Fmes: 2,4,6-tris(trifluoromethyl)phenyl] reacted with three molar equivalents of the lithio-acetylene reagent Li-C≡C-Fmxyl [Fmxyl: 3,5-bis(trifluoromethyl)phenyl]. Subsequent crystallization from benzene gave the [bis(η6-benzene)Li]+ cation with the [{FmesB(-C≡C-Fmxyl)3}2Li]? anion. This parent [(arene)2Li]+ cation shows an eclipsed arrangement of the pair of benzene ligands at the central lithium cation with uniform carbon-lithium bond lengths. The corresponding [(η6-toluene)2Li]+ and [(η6-durene)2Li]+ containing salts were similarly prepared. The bis(arene)lithium cations were characterized by X-ray diffraction, by solid-state 7Li MAS NMR spectroscopy and their bonding features were analyzed by DFT calculations.

Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF3)3C6 H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar′), or 2,4-(CF3)2 C6H3 (Ar″) ligands

Several new boron compounds containing the 2,4,6- (CF3)3C6H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar′) or 2,4-(CF3)2C6H3 (Ar″) ligands have been synthesised from reactions of ArLi, Ar′Li or Ar″Li with BCl3, and characterised by 19F and 11B NMR spectroscopy. Chlorine/fluorine exchanges are evident in these reactions. The crystal and molecular structures of Ar2BF, Ar″3B, Ar2B(OH), Ar′B(OH)2 and Mes2BF (Mes = 2,4,6-Me3C6H2) have been determined by single crystal X-ray diffraction. Ar″3B represents the first example of a compound containing three Ar″ ligands to be structurally characterised. Molecular geometries and GIAO-NMR shifts for several new boron compounds have been calculated at the HF/6-31G* level of theory, and compared with the available experimental results.