Methylene, difluoro- 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
ΔfH°gas-48.2 ± 2.1kcal/molR-EASchwartz, Davico, et al., 1999Neutral carbene triplet 54±3 kcal/mol above singlet
ΔfH°gas<-24.40kcal/molIMRBDawson and Jennings, 1976O- + CH2F2 ->. G3MP2B3 calculations indicate a HOF(A-) = -51 kcal/mol.

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 = 1450 ± 160 gas Murray, Leopold, et al., 1988
Gilles, Ervin, et al., 1992
Schwartz, Davico, et al., 1999, 2

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 CF stretch 860 ± 30 gas PE Murray, Leopold, et al., 1988

Additional references: Jacox, 1994, page 107; Jacox, 2003, page 145

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.

Schwartz, Davico, et al., 1999
Schwartz, R.L.; Davico, G.E.; Ramond, T.M.; Lineberger, W.C., Singlet-triplet splittings in CX2 (X = F, Cl, Br, I) dihalocarbenes via negative ion photoelectron spectroscopy, J. Phys. Chem. A, 1999, 103, 41, 8213-8221, https://doi.org/10.1021/jp992214c . [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]

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]

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]

Schwartz, Davico, et al., 1999, 2
Schwartz, R.L.; Davico, G.E.; Ramond, T.M.; Lineberger, W.C., Singlet-Triplet Splittings in CX, J. Phys. Chem. A, 1999, 103, 41, 8213, https://doi.org/10.1021/jp992214c . [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, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

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