Difluoroamino radical
- Formula: F2N
- Molecular weight: 52.0035
- IUPAC Standard InChI: InChI=1S/F2N/c1-3-2
- IUPAC Standard InChIKey: BBZREMAMWBDNHH-UHFFFAOYSA-N
- CAS Registry Number: 3744-07-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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 | 10.10 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 59.739 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1964 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 298. to 1100. | 1100. to 6000. |
|---|---|---|
| A | 5.857199 | 13.82110 |
| B | 18.82490 | 0.050065 |
| C | -16.91850 | -0.010155 |
| D | 5.431760 | 0.000704 |
| E | -0.027830 | -0.691995 |
| F | 7.561920 | 4.043131 |
| G | 61.76140 | 73.56040 |
| H | 10.09990 | 10.09990 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1964 | Data last reviewed in March, 1964 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, 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:
L - Sharon G. Lias
Data compiled as indicated in comments:
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
B - John E. Bartmess
View reactions leading to F2N+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 11.63 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.87 ± 0.15 | D-EA | Koppel, Taft, et al., 1994 | Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B |
| 1.35 ± 0.15 | D-EA | Koppel, Pikver, et al., 1981 | 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 |
| 1.10 ± 0.10 | EIAE | Ruckhaberle, Lehmann, et al., 1997 | B |
| 1.68 ± 0.21 | EIAE | Harland and Franklin, 1974 | From NF3; B |
| >0.70 ± 0.20 | EIAE | Dudin, Baluev, et al., 1979 | From NF3; B |
| >0.41 ± 0.15 | EIAE | Dudin, Balaev, et al., 1978 | From N2F4; B |
| 2.99997 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.8 ± 0.4 | EI | Tarnovsky, Levin, et al., 1994 | LL |
| 11.63 ± 0.01 | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
| 11.8 ± 0.1 | EI | Foner and Hudson, 1973 | LLK |
| 12.1 | PE | Herring, 1972 | LLK |
| 11.62 ± 0.02 | PE | Cornford, Frost, et al., 1971 | LLK |
| 11.79 ± 0.12 | EI | Cristy and Mamantov, 1970 | RDSH |
| 12.1 ± 0.1 | PE | Cornford, Frost, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| FN+ | 15.7 ± 0.4 | F | EI | Tarnovsky, Levin, et al., 1994 | LL |
| FN+ | 15.09 ± 0.01 | F | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
| FN+ | 11.9 ± 0.2 | F(-) | EI | Foner and Hudson, 1973 | LLK |
| FN+ | 15.5 ± 0.2 | F | EI | Foner and Hudson, 1973 | LLK |
| NF+ | 11.8 ± 0.2 | F- | EI | Herron and Dibeler, 1961 | RDSH |
| NF+ | 15.5 ± 0.2 | F | EI | Herron and Dibeler, 1961 | RDSH |
| NF+ | 15.0 ± 0.2 | F | EI | Loughran and Mader, 1960 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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: Marilyn E. Jacox
State: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| gas | A-X | 237 | 278 | Johnson and Colburn, 1961 | |||
| Kuznetsova, Kuzyakov, et al., 1964 | |||||||
| Goodfriend and Woods, 1964 | |||||||
| Ar | A-X | 247 | 265 | Jacox, Milligan, et al., 1974 | |||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 2 | Bend | 390 | gas | AB | Kuznetsova, Kuzyakov, et al., 1964 Goodfriend and Woods, 1964 | |
| 2 | Bend | 408 | Ar | AB | Jacox, Milligan, et al., 1974 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | Sym. stretch | 1074.99 | gas | IR DL | Harmony, Myers, et al., 1961 Davies, Handy, et al., 1979 Hakuta and Uehara, 1981 Davies, Hamilton, et al., 1984 | |
| 1 | Sym. stretch | 1071.6 | Ne | IR | Jacox and Thompson, 1995 | ||
| 1 | Sym. stretch | 1069 | m | Ar | IR | Jacox and Milligan, 1967 Jacox, Milligan, et al., 1974 | |
| 1 | Sym. stretch | 1070 | N2 | IR | Harmony, Myers, et al., 1961 Harmony and Myers, 1962 | ||
| 2 | Bend | 573 | w | N2 | IR | Harmony and Myers, 1962 | |
| b2 | 3 | Asym. stretch | 942.48 | gas | IR DL | Harmony, Myers, et al., 1961 Davies, Handy, et al., 1979 Davies and Hamilton, 1984 Uehara and Horiai, 1986 | |
| 3 | Asym. stretch | 936.0 | Ne | IR | Jacox and Thompson, 1995 | ||
| 3 | Asym. stretch | 932 | vs | Ar | IR | Jacox and Milligan, 1967 Jacox, Milligan, et al., 1974 | |
| 3 | Asym. stretch | 931 | N2 | IR | Harmony, Myers, et al., 1961 Harmony and Myers, 1962 | ||
Additional references: Jacox, 1994, page 107; Jacox, 1998, page 201; Comeford and Mann, 1965; Brown, Burden, et al., 1974; Muller, Loblein, et al., 2008
Notes
| w | Weak |
| m | Medium |
| vs | Very strong |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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]
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]
Harland and Franklin, 1974
Harland, P.W.; Franklin, J.L.,
Partitioning of excess energy in dissociative resonance capture processes,
J. Chem. Phys., 1974, 61, 1621. [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, Izv. Akad. Nauk SSR Ser. Khim. 2172, 1979. [all data]
Dudin, Balaev, et al., 1978
Dudin, A.V.; Balaev, A.V.; Gorokhov, L.N.,
Mass Spectrometric Study of Tetrafluorohydrazine and the Products Resulting from Its Breakdown Under Electron Impact, Izv. Akad. Nauk SSR Ser. Khim. 1306, 1978. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K.,
Absolute cross sections for the electron impact ionization of the NF2 and NF free radicals,
J. Chem. Phys., 1994, 100, 5626. [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]
Foner and Hudson, 1973
Foner, S.N.; Hudson, R.L.,
Mass spectrometric studies of tetrafluorohydrazine and the difluoroamino radical,
J. Chem. Phys., 1973, 58, 581. [all data]
Herring, 1972
Herring, F.G.,
General discussion,
Faraday Discuss. Chem. Soc., 1972, 54, 68. [all data]
Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Ionization potentials of the difluoroamino radical by photoelectron spectroscopy and INDO calculations,
J. Chem. Phys., 1971, 54, 1872. [all data]
Cristy and Mamantov, 1970
Cristy, S.S.; Mamantov, G.,
Cryogenic mass spectrometry of reactive fluorine-containing species. II. Applications to synthesis via pyrolysis, photolysis and microwave discharge,
Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 319. [all data]
Cornford, Frost, et al., 1972
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Photoelectron spectra of some free radicals,
Faraday Discuss. Chem. Soc., 1972, 54, 56. [all data]
Herron and Dibeler, 1961
Herron, J.T.; Dibeler, V.H.,
Mass spectrometric study of NF2, NF3, N2F2, and N2F4,
J. Res. NBS, 1961, 65A, 405. [all data]
Loughran and Mader, 1960
Loughran, E.D.; Mader, C.,
Appearance potential study of tetrafluorohydrazine,
J. Chem. Phys., 1960, 32, 1578. [all data]
Johnson and Colburn, 1961
Johnson, F.A.; Colburn, C.B.,
None,
J. Am. Chem. Soc., 1961, 83, 14, 3043, https://doi.org/10.1021/ja01475a018
. [all data]
Kuznetsova, Kuzyakov, et al., 1964
Kuznetsova, L.A.; Kuzyakov, Yu.Ya.; Tatevskii, V.M.,
Opt. i Spektrosk., 1964, 16, 542. [all data]
Goodfriend and Woods, 1964
Goodfriend, P.L.; Woods, H.P.,
The absorption spectrum of NF2,
J. Mol. Spectrosc., 1964, 13, 1-4, 63, https://doi.org/10.1016/0022-2852(64)90055-4
. [all data]
Jacox, Milligan, et al., 1974
Jacox, M.E.; Milligan, D.E.; Guillory, W.A.; Smith, J.J.,
Matrix-isolation study of the vacuum-ultraviolet photolysis of NF3,
J. Mol. Spectrosc., 1974, 52, 2, 322, https://doi.org/10.1016/0022-2852(74)90122-2
. [all data]
Harmony, Myers, et al., 1961
Harmony, M.D.; Myers, R.J.; Schoen, L.J.; Lide, D.R., Jr.; Mann, D.E.,
Infrared Spectrum and Structure of the NF2 Radical,
J. Chem. Phys., 1961, 35, 3, 1129, https://doi.org/10.1063/1.1701191
. [all data]
Davies, Handy, et al., 1979
Davies, P.B.; Handy, B.J.; Russell, D.K.,
Infrared diode laser spectroscopy of the NF2 radical,
Chem. Phys. Lett., 1979, 68, 2-3, 395, https://doi.org/10.1016/0009-2614(79)87224-3
. [all data]
Hakuta and Uehara, 1981
Hakuta, K.; Uehara, H.,
High-field laser magnetic resonance spectra of NF2 (ν1) tuned by the avoidance of Zeeman-level crossings,
J. Chem. Phys., 1981, 74, 11, 5995, https://doi.org/10.1063/1.441038
. [all data]
Davies, Hamilton, et al., 1984
Davies, P.B.; Hamilton, P.A.; Lewis-Bevan, W.; Russell, D.K.,
Infrared Laser Spectroscopy of Free Radicals and Ions. II. Analysis of the Formula Band of Formula,
Proc. Roy. Soc. (London) A392, 1984, 392, 1803, 445, https://doi.org/10.1098/rspa.1984.0041
. [all data]
Jacox and Thompson, 1995
Jacox, M.E.; Thompson, W.E.,
Matrix isolation study of the interaction of excited neon atoms with NF3. Infrared spectra of NF+3, NF+2, and NF-2,
J. Chem. Phys., 1995, 102, 1, 6, https://doi.org/10.1063/1.469446
. [all data]
Jacox and Milligan, 1967
Jacox, M.E.; Milligan, D.E.,
Production and Reaction of Atomic Fluorine in Solids. Vibrational and Electronic Spectra of the Free Radical HNF,
J. Chem. Phys., 1967, 46, 1, 184, https://doi.org/10.1063/1.1840369
. [all data]
Harmony and Myers, 1962
Harmony, M.D.; Myers, R.J.,
Infrared Spectrum and Thermodynamic Functions of the NF2 Radical,
J. Chem. Phys., 1962, 37, 3, 636, https://doi.org/10.1063/1.1701388
. [all data]
Davies and Hamilton, 1984
Davies, P.B.; Hamilton, P.A.,
Infrared Laser Spectroscopy of Free Radicals and Ions. III. The Formula Band of NFFormula,
Proc. Roy. Soc. (London) A393, 1984, 393, 1805, 397, https://doi.org/10.1098/rspa.1984.0064
. [all data]
Uehara and Horiai, 1986
Uehara, H.; Horiai, K.,
Laser microwave double resonance using high-field LMR spectra for the ν3 band of NF2,
J. Chem. Phys., 1986, 84, 10, 5568, https://doi.org/10.1063/1.449915
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Comeford and Mann, 1965
Comeford, J.J.; Mann, D.E.,
Formation of NF from NF2 by photolysis,
Spectrochim. Acta, 1965, 21, 1, 197, https://doi.org/10.1016/0371-1951(65)80116-3
. [all data]
Brown, Burden, et al., 1974
Brown, R.D.; Burden, F.R.; Godfrey, P.D.; Gillard, I.R.,
Microwave spectrum of NF2,
J. Mol. Spectrosc., 1974, 52, 2, 301, https://doi.org/10.1016/0022-2852(74)90121-0
. [all data]
Muller, Loblein, et al., 2008
Muller, H.S.P.; Loblein, K.; Hubner, H.; Huttner, W.; Brown, J.M.,
The rotational spectrum of the NF2 free radical: Determination of molecular structure,
J. Mol. Spectrosc., 2008, 251, 1-2, 185, https://doi.org/10.1016/j.jms.2008.02.014
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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