HCF radical anion


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.

Data compiled by: John E. Bartmess

Quantity Value Units Method Reference Comment
Δfgas21.7 ± 3.0kcal/molR-EAGilles, Ervin, et al., 1992Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet
Δfgas<27.70kcal/molIMRBDawson and Jennings, 1976O- + CH3F ->.

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

CHF- + Hydrogen cation = CH2F

By formula: CHF- + H+ = CH2F

Quantity Value Units Method Reference Comment
Δr398.6 ± 1.5kcal/molG+TSBorn, Ingemann, et al., 1994gas phase; Between EtNH2 and Me2NH
Δr394.3 ± 5.2kcal/molD-EAGilles, Ervin, et al., 1992gas phase; Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet
Quantity Value Units Method Reference Comment
Δr390.5 ± 1.4kcal/molIMRBBorn, Ingemann, et al., 1994gas phase; Between EtNH2 and Me2NH
Δr386.2 ± 5.3kcal/molH-TSGilles, Ervin, et al., 1992gas phase; Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet

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:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Td = 4370 ± 40 gas Murray, Leopold, et al., 1988
Gilles, Ervin, et al., 1992

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 3 CF stretch 720 ± 25 gas PE Murray, Leopold, et al., 1988
Gilles, Ervin, et al., 1992

Additional references: Jacox, 1994, page 47

Notes

dPhotodissociation threshold

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.

Gilles, Ervin, et al., 1992
Gilles, M.K.; Ervin, K.M.; Ho, J.; Lineberger, W.C., Negative Ion Photoelectron Spectroscopy of HCF-, HCCl-, HCBr-, and HCI- - Photoelectron Angular Distributions and Neutral Triplet Excitation, J. Phys. Chem., 1992, 96, 3, 1130, https://doi.org/10.1021/j100182a021 . [all data]

Dawson and Jennings, 1976
Dawson, J.H.J.; Jennings, K.R., Production of gas phase radical anions by reaction of O-. Ions with organic substrates, J. Chem. Soc. Faraday Trans. 2, 1976, 72, 700. [all data]

Born, Ingemann, et al., 1994
Born, M.; Ingemann, S.; Nibbering, N.M.M., Heats of formation of mono-halogen-substituted carbenes. Stability and reactivity of CHX(center dot-) (X=F, Cl, Pr, and I) radical anions, J. Am. Chem. Soc., 1994, 116, 16, 7210, https://doi.org/10.1021/ja00095a025 . [all data]

Murray, Leopold, et al., 1988
Murray, K.K.; Leopold, D.G.; Miller, T.M.; Lineberger, W.C., Photoelectron Spectroscopy of the Halocarbene Anions HCF-, HCCl-, HCBr-, HCI-, CF2-, and CCl2-, J. Chem. Phys., 1988, 89, 9, 5442, https://doi.org/10.1063/1.455596 . [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]


Notes

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