Nitrogen trifluoride
- Formula: F3N
- Molecular weight: 71.0019
- IUPAC Standard InChIKey: GVGCUCJTUSOZKP-UHFFFAOYSA-N
- CAS Registry Number: 7783-54-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Trifluoroamine; Nitrogen fluoride (NF3); Nitrogen fluoride; Trifluoroammonia; Perfluoroammonia; NF3; UN 2451
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Gas phase ion energetics data
Go To: Top, 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 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 135.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 128.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
>132.4 | Hiraoka, Nasu, et al., 1995 | From activation energy of proton transfer reaction (N2)2H+ + NF3 -> NF3H+ + 2N2; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.5 ± 0.2 | EI | Tarnovsky, Levin, et al., 1994 | LL |
12.94 ± 0.01 | PIPECO | Ruede, Troxler, et al., 1993 | LL |
13.0 | PE | Berkowitz and Greene, 1984 | LBLHLM |
13.10 ± 0.06 | EI | Dudin, Baluev, et al., 1979 | LLK |
12.97 ± 0.04 | PE | Basset and Lloyd, 1972 | LLK |
13.2 ± 0.1 | EI | Muller and Fenderl, 1971 | LLK |
13.00 ± 0.02 | PI | Dibeler and Walker, 1969 | RDSH |
13.6 ± 0.2 | EI | Tarnovsky, Levin, et al., 1994 | Vertical value; LL |
13.83 | PE | Baumgartel, Jochims, et al., 1989 | Vertical value; LL |
13.75 | PE | Berkowitz and Greene, 1984 | Vertical value; LBLHLM |
13.73 | PE | Potts, Lempka, et al., 1970 | Vertical value; RDSH |
13.73 ± 0.03 | PE | Bassett and Lloyd, 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
F+ | 25. ± 1. | ? | EI | Reese and Dibeler, 1956 | RDSH |
FN+ | 17.6 ± 0.4 | 2F | EI | Tarnovsky, Levin, et al., 1994 | LL |
FN+ | 17.49 ± 0.02 | 2F | PIPECO | Ruede, Troxler, et al., 1993 | LL |
FN+ | 17.50 ± 0.09 | 2F | PI | Baumgartel, Jochims, et al., 1989 | LL |
FN+ | 17.64 ± 0.08 | 2F | EI | Dudin, Baluev, et al., 1979 | LLK |
NF+ | 17.54 ± 0.02 | 2F | PI | Dibeler and Walker, 1969 | RDSH |
NF+ | 17.9 ± 0.3 | 2F | EI | Reese and Dibeler, 1956 | RDSH |
F2N+ | 14.5 ± 0.4 | F | EI | Tarnovsky, Levin, et al., 1994 | LL |
F2N+ | 15.2 ± 0.3 | F | EI | Tarnovsky, Levin, et al., 1994 | LL |
F2N+ | 13.71 ± 0.01 | F | PIPECO | Ruede, Troxler, et al., 1993 | LL |
F2N+ | 14.10 ± 0.01 | F | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
F2N+ | 14.14 ± 0.05 | F | EI | Dudin, Baluev, et al., 1979 | LLK |
NF2+ | 14.12 ± 0.01 | F | PI | Dibeler and Walker, 1969 | RDSH |
N+ | 23.1 ± 0.2 | ? | EI | Dudin, Baluev, et al., 1979 | LLK |
N+ | 22.2 ± 0.2 | ? | EI | Reese and Dibeler, 1956 | RDSH |
References
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, 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, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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