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Difluoramine

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Phase change 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 compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tboil250.KN/AKennedy and Colburn, 1959Uncertainty assigned by TRC = 3. K
Quantity Value Units Method Reference Comment
Tfus142.KN/AKennedy and Colburn, 1959Uncertainty assigned by TRC = 3. K

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Reaction 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.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

F2N- + Hydrogen cation = Difluoramine

By formula: F2N- + H+ = HF2N

Quantity Value Units Method Reference Comment
Deltar1552. ± 8.8kJ/molG+TSKoppel, Taft, et al., 1994gas phase; Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns
Deltar1506. ± 8.8kJ/molIMREKoppel, Pikver, et al., 1981gas 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.
Deltar1530. ± 15.kJ/molD-EARuckhaberle, Lehmann, et al., 1997gas phase
Quantity Value Units Method Reference Comment
Deltar1520. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns
Deltar1474. ± 8.4kJ/molH-TSKoppel, Pikver, et al., 1981gas 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.

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 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
11.60PEBaumgartel, Jochims, et al., 1989LL
11.53 ± 0.08PEColbourne, Frost, et al., 1980LLK
12.38PEBaumgartel, Jochims, et al., 1989Vertical value; LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F2N+15.1HPEBaumgartel, Jochims, et al., 1989LL

De-protonation reactions

F2N- + Hydrogen cation = Difluoramine

By formula: F2N- + H+ = HF2N

Quantity Value Units Method Reference Comment
Deltar1552. ± 8.8kJ/molG+TSKoppel, Taft, et al., 1994gas phase; Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B
Deltar1506. ± 8.8kJ/molIMREKoppel, Pikver, et al., 1981gas 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
Deltar1530. ± 15.kJ/molD-EARuckhaberle, Lehmann, et al., 1997gas phase; B
Quantity Value Units Method Reference Comment
Deltar1520. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B
Deltar1474. ± 8.4kJ/molH-TSKoppel, Pikver, et al., 1981gas 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

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 92

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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: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 NH str 3193  C 3193 W gas
a' 2 NH bend 1307  B 1307 S gas
a' 3 NF2 s-str 972  B 972 S gas
a' 4 NF2 scis 500  C 500 M gas
a 5 NH bend 1424  B 1424 S gas
a 6 NF2 a-str 888  C 888 VS gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.

Kennedy and Colburn, 1959
Kennedy, A.; Colburn, C.B., Difluoroamine, J. Am. Chem. Soc., 1959, 81, 2906-7. [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]

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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, References