Difluoramine
- Formula: F2HN
- Molecular weight: 53.0114
- IUPAC Standard InChI: InChI=1S/F2HN/c1-3-2/h3H
- IUPAC Standard InChIKey: ULFHSQLFQYTZLS-UHFFFAOYSA-N
- CAS Registry Number: 10405-27-3
- 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: Difluoroamine; HNF2; Fluorimide
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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 compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.60 | PE | Baumgartel, Jochims, et al., 1989 | LL |
| 11.53 ± 0.08 | PE | Colbourne, Frost, et al., 1980 | LLK |
| 12.38 | PE | Baumgartel, Jochims, et al., 1989 | Vertical value; LL |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| F2N+ | 15.1 | H | PE | Baumgartel, Jochims, et al., 1989 | LL |
De-protonation reactions
F2N- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.0 ± 2.1 | kcal/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B |
| ΔrH° | 360.0 ± 2.1 | kcal/mol | IMRE | Koppel, Pikver, et al., 1981 | gas phase; This acidity disagrees with the authors' later( Koppel, Taft, et al., 1994) value by 10 kcal/mol, but agrees with G3(MP2) computations much better.The acidity of HNF2 is not well known therefore.; B |
| ΔrH° | 365.7 ± 3.5 | kcal/mol | D-EA | Ruckhaberle, Lehmann, et al., 1997 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 363.3 ± 2.0 | kcal/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B |
| ΔrG° | 352.2 ± 2.0 | kcal/mol | H-TS | Koppel, Pikver, et al., 1981 | gas phase; This acidity disagrees with the authors' later( Koppel, Taft, et al., 1994) value by 10 kcal/mol, but agrees with G3(MP2) computations much better.The acidity of HNF2 is not well known therefore.; B |
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.
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]
Colbourne, Frost, et al., 1980
Colbourne, D.; Frost, D.C.; McDowell, C.A.; Westwood, N.P.C.,
The vacuum ultraviolet photoelectron spectrum of difluoramine,
Chem. Phys. Lett., 1980, 72, 247. [all data]
Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M.,
The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids,
J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Koppel, Pikver, et al., 1981
Koppel, I.; Pikver, R.; Sugis, A.; Suurmaa, E.; Lippmaa, E.,
FTICR Study of Structure and Solvent Effects on Basicity of Some Anions in the Gas Phase,
Org. Reac., 1981, 18, 3. [all data]
Ruckhaberle, Lehmann, et al., 1997
Ruckhaberle, N.; Lehmann, L.; Matejcik, S.; Illenberger, E.; Bouteiller, Y.; Periquet, V.; Museur, L.; Desfran,
Free Electron Attachment and Rydberg Electron Transfer to NF3 Molecules and Clusters,
J. Phys. Chem. A, 1997, 101, 51, 9942, https://doi.org/10.1021/jp972422+
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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