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 thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -132.09 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 260.77 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. | 1000. to 6000. |
---|---|---|
A | 26.45610 | 82.54781 |
B | 142.2606 | 0.345728 |
C | -137.6134 | -0.071941 |
D | 47.68505 | 0.005089 |
E | -0.404491 | -4.482487 |
F | -146.5375 | -169.6763 |
G | 253.7876 | 340.7860 |
H | -132.0893 | -132.0893 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Phase change 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 compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 144. | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 1.5 K |
Tboil | 144.2 | K | N/A | Menzel and Mohry, 1933 | Uncertainty assigned by TRC = 0.4 K |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 64.7 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.5 K |
Reaction thermochemistry 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 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: CH3+ + F3N = (CH3+ • F3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 224. | kJ/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M |
By formula: F- + F3N = (F- • F3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.1 ± 1.3 | kJ/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; B |
By formula: 3C2F3N + 5F3N = 6CF4 + 4N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3449.3 ± 0.92 | kJ/mol | Eqk | Walker, Sinke, et al., 1970 | gas phase; ALS |
By formula: 3C2F6 + 2F3N = 6CF4 + N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1304. ± 13. | kJ/mol | Ccb | Sinke, 1966 | gas phase; ALS |
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 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 568.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 538.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
>554.0 | 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 |
IR Spectrum
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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 compiled by: Coblentz Society, Inc.
Gas Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 08760 |
Date | 1964 |
Name(s) | N,N,N-trifluoroamine NITROGEN FLUORIDE |
State | GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg) |
Instrument | DOW KBr FOREPRISM-GRATING |
Instrument parameters | GRATING CHANGED AT 5.0, 7.5, 15.0 MICRON |
Path length | 5 CM |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 279 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Streng, 1971
Streng, A.G.,
Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature,
J. Chem. Eng. Data, 1971, 16, 357. [all data]
Menzel and Mohry, 1933
Menzel, W.; Mohry, F.,
Vapor pressure of CF(4) and NF(3) and the triple point of CF(4).,
Z. Anorg. Allg. Chem., 1933, 210, 257. [all data]
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, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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