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Difluoroamino radical

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Gas phase 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.

Quantity Value Units Method Reference Comment
Deltafgas42.26kJ/molReviewChase, 1998Data last reviewed in March, 1964
Quantity Value Units Method Reference Comment
gas,1 bar249.95J/mol*KReviewChase, 1998Data 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 (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. - 1100.1100. - 6000.
A 24.5065257.82748
B 78.763380.209473
C -70.78700-0.042487
D 22.726480.002946
E -0.116441-2.895307
F 31.6390716.91646
G 258.4097307.7767
H 42.2579842.25798
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1964 Data last reviewed in March, 1964

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:
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 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.87 ± 0.15D-EAKoppel, Taft, et al., 1994Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B
1.35 ± 0.15D-EAKoppel, Pikver, et al., 1981This 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 ± 0.10EIAERuckhaberle, Lehmann, et al., 1997B
1.68 ± 0.21EIAEHarland and Franklin, 1974From NF3; B
>0.70 ± 0.20EIAEDudin, Baluev, et al., 1979From NF3; B
>0.41 ± 0.15EIAEDudin, Balaev, et al., 1978From N2F4; B
2.99997SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.8 ± 0.4EITarnovsky, Levin, et al., 1994LL
11.63 ± 0.01PIBerkowitz, Greene, et al., 1984LBLHLM
11.8 ± 0.1EIFoner and Hudson, 1973LLK
12.1PEHerring, 1972LLK
11.62 ± 0.02PECornford, Frost, et al., 1971LLK
11.79 ± 0.12EICristy and Mamantov, 1970RDSH
12.1 ± 0.1PECornford, Frost, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
FN+15.7 ± 0.4FEITarnovsky, Levin, et al., 1994LL
FN+15.09 ± 0.01FPIBerkowitz, Greene, et al., 1984LBLHLM
FN+11.9 ± 0.2F(-)EIFoner and Hudson, 1973LLK
FN+15.5 ± 0.2FEIFoner and Hudson, 1973LLK
NF+11.8 ± 0.2F-EIHerron and Dibeler, 1961RDSH
NF+15.5 ± 0.2FEIHerron and Dibeler, 1961RDSH
NF+15.0 ± 0.2FEILoughran and Mader, 1960RDSH

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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

wWeak
mMedium
vsVery 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 («nu»1) 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 «nu»3 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

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