Fluoromethylene

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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

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Individual Reactions

(CAS Reg. No. 61923-51-1 • 4294967295Fluoromethylene) + Fluoromethylene = CAS Reg. No. 61923-51-1

By formula: (CAS Reg. No. 61923-51-1 • 4294967295CHF) + CHF = CAS Reg. No. 61923-51-1

Quantity Value Units Method Reference Comment
Δr21.6 ± 3.7kcal/molN/APoutsma, Paulino, et al., 1997gas phase; Relative to MeOH at ΔGacid=375.1
Δr22.7 ± 2.2kcal/molCIDTPoutsma, Paulino, et al., 1997gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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:
HL - Edward P. Hunter and Sharon G. Lias
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
B - John E. Bartmess

View reactions leading to CHF+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.06 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)190.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity182.6kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.5420 ± 0.0050LPESGilles, Ervin, et al., 1992Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet; B
0.5570 ± 0.0050LPESMurray, Leopold, et al., 1988Singlet-triplet splitting in neutral 11.4±0.3 kcal/mol; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.06 ± 0.05LSIrikura, Hudgens, et al., 1995LL
10.4EIGoto, Nakamura, et al., 1994LL
10.49DERLias, Karpas, et al., 1985LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+16.6HEIGoto, Nakamura, et al., 1994LL
CH+24.2FEIGoto, Nakamura, et al., 1994LL

References

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

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

Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R., Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study., J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

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]

Irikura, Hudgens, et al., 1995
Irikura, K.K.; Hudgens, J.W.; Johnson, R.D., III, Spectroscopy of the fluoromethylene radicals HCF and DCF by 2+1 resonance enhanced multiphoton ionization spectroscopy and by ab initio calculation, J. Chem. Phys., 1995, 103, 1303. [all data]

Goto, Nakamura, et al., 1994
Goto, M.; Nakamura, K.; Toyoda, H.; Sugai, H., Cross section measurements for electron-impact dissociation of CHF3 into neutral and ionic fragments, Jpn. J. Appl. Phys. Part 1, 1994, 33, 3602. [all data]

Lias, Karpas, et al., 1985
Lias, S.G.; Karpas, Z.; Liebman, J.F., Halomethylenes: Effects of halogen substitution on absolute heats of formation, J. Am. Chem. Soc., 1985, 107, 6089. [all data]


Notes

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