Nitrogen trifluoride

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

Methyl cation + Nitrogen trifluoride = (Methyl cation • Nitrogen trifluoride)

By formula: CH3+ + F3N = (CH3+ • F3N)

Quantity Value Units Method Reference Comment
Δr53.6kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

Fluorine anion + Nitrogen trifluoride = (Fluorine anion • Nitrogen trifluoride)

By formula: F- + F3N = (F- • F3N)

Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsHiraoka, Shimizu, et al., 1995gas phase; B

3Acetonitrile, trifluoro- + 5Nitrogen trifluoride = 6Tetrafluoromethane + 4Nitrogen

By formula: 3C2F3N + 5F3N = 6CF4 + 4N2

Quantity Value Units Method Reference Comment
Δr-824.40 ± 0.22kcal/molEqkWalker, Sinke, et al., 1970gas phase; ALS

3Ethane, hexafluoro- + 2Nitrogen trifluoride = 6Tetrafluoromethane + Nitrogen

By formula: 3C2F6 + 2F3N = 6CF4 + N2

Quantity Value Units Method Reference Comment
Δr-311.7 ± 3.0kcal/molCcbSinke, 1966gas phase; ALS

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)12.94 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)135.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity128.7kcal/molN/AHunter and Lias, 1998HL

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
>132.4Hiraoka, Nasu, et al., 1995From activation energy of proton transfer reaction (N2)2H+ + NF3 -> NF3H+ + 2N2; MM

Ionization energy determinations

IE (eV) Method Reference Comment
13.5 ± 0.2EITarnovsky, Levin, et al., 1994LL
12.94 ± 0.01PIPECORuede, Troxler, et al., 1993LL
13.0PEBerkowitz and Greene, 1984LBLHLM
13.10 ± 0.06EIDudin, Baluev, et al., 1979LLK
12.97 ± 0.04PEBasset and Lloyd, 1972LLK
13.2 ± 0.1EIMuller and Fenderl, 1971LLK
13.00 ± 0.02PIDibeler and Walker, 1969RDSH
13.6 ± 0.2EITarnovsky, Levin, et al., 1994Vertical value; LL
13.83PEBaumgartel, Jochims, et al., 1989Vertical value; LL
13.75PEBerkowitz and Greene, 1984Vertical value; LBLHLM
13.73PEPotts, Lempka, et al., 1970Vertical value; RDSH
13.73 ± 0.03PEBassett and Lloyd, 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F+25. ± 1.?EIReese and Dibeler, 1956RDSH
FN+17.6 ± 0.42FEITarnovsky, Levin, et al., 1994LL
FN+17.49 ± 0.022FPIPECORuede, Troxler, et al., 1993LL
FN+17.50 ± 0.092FPIBaumgartel, Jochims, et al., 1989LL
FN+17.64 ± 0.082FEIDudin, Baluev, et al., 1979LLK
NF+17.54 ± 0.022FPIDibeler and Walker, 1969RDSH
NF+17.9 ± 0.32FEIReese and Dibeler, 1956RDSH
F2N+14.5 ± 0.4FEITarnovsky, Levin, et al., 1994LL
F2N+15.2 ± 0.3FEITarnovsky, Levin, et al., 1994LL
F2N+13.71 ± 0.01FPIPECORuede, Troxler, et al., 1993LL
F2N+14.10 ± 0.01FPIBerkowitz, Greene, et al., 1984LBLHLM
F2N+14.14 ± 0.05FEIDudin, Baluev, et al., 1979LLK
NF2+14.12 ± 0.01FPIDibeler and Walker, 1969RDSH
N+23.1 ± 0.2?EIDudin, Baluev, et al., 1979LLK
N+22.2 ± 0.2?EIReese and Dibeler, 1956RDSH

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Hiraoka, Shimizu, et al., 1995
Hiraoka, K.; Shimizu, A.; Minamitsu, A.; Nasu, M.; Fujimaki, S.; Yamabe, S., The small binding energies of the negative cluster ions: SF5-(SF6)1, SF6-(SF6)1 and F-(SF6)n (n=1 and 2), in the gas phase, Chem. Phys. Lett., 1995, 241, 5-6, 623, https://doi.org/10.1016/0009-2614(95)00676-U . [all data]

Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J., Enthalpy of formation of trifluoroacetonitrile, J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]

Sinke, 1966
Sinke, G.C., The heat of reaction of nitrogen trifluoride and hexafluoroethane, J. Phys. Chem., 1966, 70, 1326-1327. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hiraoka, Nasu, et al., 1995
Hiraoka, K.; Nasu, M.; Fujimaki, S., Gas-Phase Positive and Negative Ion - Molecule Reactions in NF3, J. Phys. Chem., 1995, 99, 15822. [all data]

Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K.; Basner, R.; Schmidt, M., Electron impact ionization of the NF3 molecule, Int. J. Mass Spectrom. Ion Processes, 1994, 133, 175. [all data]

Ruede, Troxler, et al., 1993
Ruede, R.; Troxler, H.; Beglinger, C.; Jungen, M., The dissociation energies of the positive ions NH3+, NF3+, PH3+, PF3+ and PCl3+, Chem. Phys. Lett., 1993, 203, 477. [all data]

Berkowitz and Greene, 1984
Berkowitz, J.; Greene, J.P., The barrier to inversion in NF3+, J. Chem. Phys., 1984, 81, 3383. [all data]

Dudin, Baluev, et al., 1979
Dudin, A.V.; Baluev, A.V.; Gorokhov, L.N., A mass spectrometric investigation of nitrogen trifluoride by the electron shock method, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1979, 28, 1996. [all data]

Basset and Lloyd, 1972
Basset, P.J.; Lloyd, D.R., Photoelectron spectra of halides. Part III. Trifluorides and oxide trifluorides of nitrogen and phosphorus, and phosphorus oxide trichloride, J. Chem. Soc. Dalton Trans., 1972, 248. [all data]

Muller and Fenderl, 1971
Muller, J.; Fenderl, K., Reaktionen des π-Cyclopentadienyl-Mangantricarbonyl-Kations mit einfachen Fluorverbindungen in der gasphase, Chem. Ber., 1971, 104, 2207. [all data]

Dibeler and Walker, 1969
Dibeler, V.H.; Walker, J.A., Mass spectrometric study of photoionization. XIV. Nitrogen trifluoride and trifluoramine oxide, Inorg. Chem., 1969, 8, 1728. [all data]

Baumgartel, Jochims, et al., 1989
Baumgartel, H.; Jochims, H.-W.; Ruhl, E.; Bock, H.; Dammel, R.; Minkwitz, J.; Nass, R., Photoelectron and photoionization mass spectra of the fluoramines NH3-nFn1, Inorg. Chem., 1989, 28, 943. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Bassett and Lloyd, 1970
Bassett, P.J.; Lloyd, D.R., The photoelectron spectra of nitrogen trifluoride and nitrogen oxide trifluoride, and a reassignment of the spectra of tetrafluorides of group IV, Chem. Phys. Lett., 1970, 6, 166. [all data]

Reese and Dibeler, 1956
Reese, R.M.; Dibeler, V.H., Ionization and dissociation of nitrogen trifluoride by electron impact, J. Chem. Phys., 1956, 24, 1175. [all data]

Berkowitz, Greene, et al., 1984
Berkowitz, J.; Greene, J.P.; Foropoulos, J., Jr.; Neskovic, O.M., Bonding and ionization energies of N-F and P-F compounds, J. Chem. Phys., 1984, 81, 6166. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References