13768-60-0Relevant academic research and scientific papers
Electron and thermal dissociation of BF3(g)
Farber, M.,Srivastava, R. D.
, p. 241 - 244 (1984)
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.
Boron atom reactions with the halomethanes
Tabacco, M. B.,Stanton, C. T.,Sardella, D. J.,Davidovits, P.
, p. 5595 - 5601 (1985)
Rate constants have been measured for the reactions of boron atoms with a series of halomethanes.The experiments were performed in a linear flow tube apparatus at 300 K.The measured rate constants in units of cm3 molecule-1 s-1 are CCl4:9.5 X 10-11; CCl3H:4.8 X 10-11; CCl2H2:6.2 X 10-11; CClH3:1.4 X 10-11; CCl3F:3.1 X 10-11.CCl2F2:5.5 X 10-12; CClF3:1.7 X 10-13; CF4: -14; CF3H: -14.The reaction of boron with all the chloromethanes is facile.The chlorofluoromethanes present a more complex pattern.Noteworthy is the low reactivity of the channel to produce BF, furthermore, the presence of fluorine in the halomethanes reduces the reactivity at the chlorine site.Semiempirical MNDO calculations were performed on the reacting systems.These calculations suggest possible explanations for the observed results.
Maesurement of the vibrational band strength of 11BF using a tunable diode laser
Zahniser, Mark S.,Gersh, Michael E.
, p. 52 - 58 (1981)
The infrared band strength for the fundamental vibrational mode of 11BF is measured by line absorption of the P(11) transition at 1343.5 cm-1 using a tunable diode laser and multipass absorption cell coupled to a discharge flow apparatus.TheBF number density is simultaneously determined by ultraviolet absorption at the bandhead of the A 1Π1Σ transition at 196 nm.The resulting value for the band strength is 650 +/- 200 cm-2 (STP atm)-1, which is in good agreement with existing theoretical calculations.
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
Wang, Xuefeng,Andrews, Lester
, p. 3768 - 3771 (2011/04/26)
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.
Kinetics of Some Gas-Phase Elementary Reactions of Boron Monofluoride
Light, G. C.,Herm, R. R.,Matsumoto, J. H.
, p. 5066 - 5074 (2007/10/02)
Rate coefficients for some elementary bimolecular reactons involving the molecule BF have been measured in a gas-phase flow tube facility.The BF + Cl2 reaction was studied from 295 to 881 K; the rate coefficient is temperature-independent with value of (1.4 +/- 0.2) X 10-11 cm3/(molecule s).Reaction of BF with O2 was studied between 675 and 1033 K; the inferred Arrhenius rate is 1.8 X 10-11 exp(-7240/Τ) cm3/(molecule s).Room temperature rate coefficients for BF + O and BF + NO2 were determined to be (1.8 +/- 0.4) X 10-10 and (2.1 +/- 0.3) X 10-13 cm3/(molecule s), respectively.Uncertainties quoted are 95percent confidence limits derived from random errors in individual measurements.Reaction of BF was undetectable upon mixing with H2O, HF, CO2, NO, N2O, SO2, or CH3Cl.Upper limits are given for rate coefficients for these reactions.Boron monofluoride proved to be less reactive than other simple boron species which have been studied recently, viz, boron atoms and boron monoxide.Results for BF are compared with available rate information for reactions of isoelectronic CO and N2.
