Nitrogen trifluoride

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Gas phase ion energetics data

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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)568.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity538.6kJ/molN/AHunter and Lias, 1998HL

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
>554.0Hiraoka, 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


Go To: Top, 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.

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, . [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 «pi»-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]


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