NF2 anion

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

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Individual Reactions

F2N- + Hydrogen cation = Difluoramine

By formula: F2N- + H+ = HF2N

Quantity Value Units Method Reference Comment
ΔrH°371.0 ± 2.1kcal/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
ΔrH°360.0 ± 2.1kcal/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.
ΔrH°365.7 ± 3.5kcal/molD-EARuckhaberle, Lehmann, et al., 1997gas phase
Quantity Value Units Method Reference Comment
ΔrG°363.3 ± 2.0kcal/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
ΔrG°352.2 ± 2.0kcal/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.

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:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 Sym. stretch 994.7 m Ne IR Jacox and Thompson, 1995
2 Bend 431 H Ne IR Jacox and Thompson, 1995
b2 3 Asym. stretch 862.4 s Ne IR Jacox and Thompson, 1995

Additional references: Jacox, 1998, page 207

Notes

mMedium
sStrong
H(1/2)(2ν)

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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, 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]

Notes

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