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
Δfgas10.10kcal/molReviewChase, 1998Data last reviewed in March, 1964
Quantity Value Units Method Reference Comment
gas,1 bar59.739cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1100.1100. - 6000.
A 5.85719913.82110
B 18.824900.050065
C -16.91850-0.010155
D 5.4317600.000704
E -0.027830-0.691995
F 7.5619204.043131
G 61.7614073.56040
H 10.0999010.09990
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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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: 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

wWeak
mMedium
vsVery strong

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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.

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

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