13842-55-2

Basic information

• Product Name: difluoroboranyl
• Synonyms: Difluoroboryl radical
• CAS NO: 13842-55-2
• Molecular Formula: BF₂
• Molecular Weight: 48.8078
• Mol File: 13842-55-2.mol

Chemical Properties

• CAS DataBase Reference: difluoroboranyl(CAS DataBase Reference)
• NIST Chemistry Reference: difluoroboranyl(13842-55-2)
• EPA Substance Registry System: difluoroboranyl(13842-55-2)

Safety Data

• Hazardous Substances Data: 13842-55-2(Hazardous Substances Data)

Upstream product

• 7637-07-2 boron trifluoride 
• 16872-09-6 1,2-dicarba-closo-dodecaborane⁽¹²⁾ 
• 13400-13-0 cesium fluoride 
• 16872-10-9 1-methyl-o-carborane 
• 23940-20-7 μ-1,2-trimethylene-o-carborane 
• 329075-67-4 3,3'-(3-(1,2-dicarba-closo-dodecaborane-1-yl)propoxycarbonyl)-2,2'-bipyridine 
• 37170-77-7 (OC)B(BF₂)3 
• 10294-34-5 boron trichloride 
• 7782-41-4 fluorine 

Relevant articles and documents

Quantum-chemical calculations and IR spectra of the (F2)MF 2 molecules (M = B, Al, Ga, In, Tl) in solid matrices: A new class of very high electron affinity neutral molecules

Electron-deficient group 13 metals react with F2 to give the compounds MF2 (M = B, Al, Ga, In, Tl), which combine with F 2 to form a new class of very high electron affinity neutral molecules, (F2)MF2, in solid argon and neon. These (F 2)MF2 fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF3 molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.

Studies on BCl and on the exchange reaction of BCl3 with polyboron flourides

Gaseous BCl has been prepared at low pressure by reaction of BCl3 with boron at 2000 °C or by decomposition of B2Cl4 using either an electric discharge or using flash thermolysis at 1150 °C, and then condensed at - 196 °C. Reasons are discussed why each method gives BCl capable of generating (Cl2B)3BCO when the condensate at - 196 °C is treated with CO, but B4Cl4 is only formed from BCl prepared from B2Cl4. The stepwise conversion of (F2B)3BCO to (Cl2B)3BCO by treatment with BCl3 has been followed by 11B NMR spectroscopy. Evidence from mass spectrometry and 11B NMR spectroscopy suggests that reaction of polyboron fluorides, particularly B8F12 and B10F12, with BCl3 yields a new form of B9Cl9 of, as yet, unknown structure which converts slowly to closo-B9Cl9 or closo-B8Cl8 depending on the solvent.

Facile and mild deboronation of o-carboranes using cesium fluoride

The o-carborane and substituted derivatives were degrated effectively using cesium fluoride in ethanol under reflux conditions, producing cesium salts of nido monoanions directly in high yield.

Electron and thermal dissociation of BF3(g)

Electron impact fragmentation studies were performed on the BF3(g) molecule.Appearance potentials for BF2+, BF+, and F+ ions produced in the fragmentation process were 16, 24, and 30 eV, respectively.The appearance potential of BF2+ was found to be only 02 eV greater than the I.P. of BF3(g).The fragmentation ratio of the ionic concentrations at 70 eV for BF3+, BF2+, BF+, and F+ is 10/100/8/3.The primary mechanism for the thermal dissociation of BF3(g) is to the lower borofluorides in nearly equal concentrations.Dissociation to the dimeric borofluorides and F atoms is negligible, with F atom concentrations less than 1 percent of the three borofluorides.Ionization potentials for BF3(g), BF2(g), and BF(g) were 16, 9, and II eV (all +/- 1), respectively.The partial pressures for the isomolecular reaction BF3(g) + BF(g) = 2BF2(g) in the temperature range 1780 to 1900 K yielded a ΔH298 of 17.1 +/- 0.5 kcal/mol, resulting in a ΔH298 of BF2(g) of -141.0 +/- 0.5 kcal/mol, in good agreement with the photoionization and electron impact values.