Nitrogen trifluoride
- Formula: F3N
- Molecular weight: 71.0019
- IUPAC Standard InChI: InChI=1S/F3N/c1-4(2)3
- 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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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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
+
= (
•
)
By formula: CH3+ + F3N = (CH3+ • F3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 53.6 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
+
= (
•
)
By formula: F- + F3N = (F- • F3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.20 ± 0.30 | kcal/mol | TDAs | Hiraoka, Shimizu, et al., 1995 | gas phase; B |
3 + 5
= 6
+ 4
By formula: 3C2F3N + 5F3N = 6CF4 + 4N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -824.40 ± 0.22 | kcal/mol | Eqk | Walker, Sinke, et al., 1970 | gas phase; ALS |
3 + 2
= 6
+
By formula: 3C2F6 + 2F3N = 6CF4 + N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -311.7 ± 3.0 | kcal/mol | Ccb | Sinke, 1966 | gas phase; ALS |
Vibrational and/or electronic energy levels
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 compiled by: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 1032 | B | 1032 S | gas | 1050 | liq. | ||
| a1 | 2 | Sym deform | 647 | B | 647 W | gas | 667 | liq. | ||
| e | 3 | Deg str | 907 | C | 907 S | gas | 905 | liq. | ||
| e | 4 | Deg deform | 492 | B | 492 W | gas | 515 | liq. | ||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| W | Weak |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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