Fluoromethylene

• Formula: CHF
• Molecular weight: 32.0170
• IUPAC Standard InChI: InChI=1S/CHF/c1-2/h1H Copy

  
• IUPAC Standard InChIKey: YUCFVHQCAFKDQG-UHFFFAOYSA-N Copy
• CAS Registry Number: 13453-52-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Vibrational and/or electronic energy levels

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

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:   E ³p

State:   B

State:   A

State:   a

State:   X

Additional references: Jacox, 1994, page 42; Jacox, 1998, page 148; Jacox, 2003, page 36; Ashfold, Castano, et al., 1980; Suzuki, Saito, et al., 1981; Butcher, Saito, et al., 1984; Suzuki, Saito, et al., 1984; Ibuki, Hiraya, et al., 1990; Wagner, Gamperling, et al., 2000; Fan, Ionescu, et al., 2003; Tao, Deselnicu, et al., 2006; Dawes, Jasper, et al., 2010

Notes

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

Tao, Reid, et al., 2007
Tao, C.; Reid, S.A.; Schmidt, T.W.; Kable, S.H., Observation of the predissociated, quasilinear B([sup 1]A[sup ´]) state of CHF by optical-optical double resonance, J. Chem. Phys., 2007, 126, 5, 051105, https://doi.org/10.1063/1.2515273 . [all data]

Tao, Richmond, et al., 2011
Tao, C.; Richmond, C.; Mukarakate, C.; Dawes, R.; Kable, S.H.; Reid, S.A., Optical-optical double resonance spectroscopy of the quasi-linear S2 state of CHF and CDF. I. Spectroscopic analysis, J. Chem. Phys., 2011, 135, 10, 104315, https://doi.org/10.1063/1.3633724 . [all data]

Merer and Travis, 1966
Merer, A.J.; Travis, D.N., ROTATIONAL ANALYSIS OF BANDS OF THE HCF MOLECULE, Can. J. Phys., 1966, 44, 7, 1541, https://doi.org/10.1139/p66-127 . [all data]

Patel, Stewart, et al., 1980
Patel, R.I.; Stewart, G.W.; Castleton, K.; Gole, J.L.; Lombardi, J.R., Chemiluminescence study of methane---fluorine combustion: Observation and analysis of HCF 1A´´-1A´, Chem. Phys., 1980, 52, 3, 461, https://doi.org/10.1016/0301-0104(80)85248-7 . [all data]

Kakimoto, Saito, et al., 1981
Kakimoto, M.; Saito, S.; Hirota, E., Doppler-limited dye laser excitation spectroscopy of HCF, J. Mol. Spectrosc., 1981, 88, 2, 300, https://doi.org/10.1016/0022-2852(81)90181-8 . [all data]

Qiu, Zhou, et al., 1987
Qiu, Y.; Zhou, S.; Shi, J., Laser-induced fluorescence of HCF and HCCl, Chem. Phys. Lett., 1987, 136, 1, 93, https://doi.org/10.1016/0009-2614(87)87304-9 . [all data]

Schmidt, Bacskay, et al., 1999
Schmidt, T.W.; Bacskay, G.B.; Kable, S.H., Characterization of the A([sup 1]A[sup ´´]) state of HCF by laser induced fluorescence spectroscopy, J. Chem. Phys., 1999, 110, 23, 11277, https://doi.org/10.1063/1.479068 . [all data]

Nauta, Guss, et al., 2004
Nauta, K.; Guss, J.S.; Owens, N.L.; Kable, S.H., Reassignment of the CH stretching frequency of CHF in the A electronic state, J. Chem. Phys., 2004, 120, 7, 3517, https://doi.org/10.1063/1.1641011 . [all data]

Fan, Ionescu, et al., 2004
Fan, H.; Ionescu, I.; Annesley, C.; Cummins, J.; Bowers, M.; Xin, J.; Reid, S.A., On the Renner-Teller Effect and Barriers to Linearity and Dissociation in HCF(Ã, J. Phys. Chem. A, 2004, 108, 17, 3732, https://doi.org/10.1021/jp049828o . [all data]

Fan, Mukarakate, et al., 2005
Fan, H.; Mukarakate, C.; Deselnicu, M.; Tao, C.; Reid, S.A., Dispersed fluorescence spectroscopy of jet-cooled HCF and DCF: Vibrational structure of the X [sup 1]A[sup ´] state, J. Chem. Phys., 2005, 123, 1, 014314, https://doi.org/10.1063/1.1948387 . [all data]

Jacox and Milligan, 1969
Jacox, M.E.; Milligan, D.E., Matrix-Isolation Study of the Vacuum-Ultraviolet Photolysis of Methyl Fluoride. The Infrared Spectra of the Free Radicals CF, HCF, and H2CF, J. Chem. Phys., 1969, 50, 8, 3252, https://doi.org/10.1063/1.1671548 . [all data]

Hakuta, 1984
Hakuta, K., Vibration-rotation spectrum of HCF () by laser-induced fluorescence, J. Mol. Spectrosc., 1984, 106, 1, 56, https://doi.org/10.1016/0022-2852(84)90082-1 . [all data]

Suzuki and Hirota, 1988
Suzuki, T.; Hirota, E., Optical--optical double resonance (stimulated emission pumping) spectroscopy of HCF, J. Chem. Phys., 1988, 88, 11, 6778, https://doi.org/10.1063/1.454423 . [all data]

Mukarakete, Tao, et al., 2008
Mukarakete, C.; Tao, C.; Jordan, C.D.; Polik, W.F.; Reid, S.A., Stimulated Emission Pumping Spectroscopyof the [X], J. Phys. Chem. A, 2008, 112, 3, 466, https://doi.org/10.1021/jp077108m . [all data]

Wu, Chen, et al., 2010
Wu, Y.-J.; Chen, H.-F.; Chou, S.-L.; Lin, M.-Y.; Cheng, B.M., Vacuum-ultraviolet photolysis of H3CF in solid neon: Infrared spectra of HCF and CF+, Chem. Phys. Lett., 2010, 497, 1-3, 12, https://doi.org/10.1016/j.cplett.2010.07.087 . [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, 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]

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]

Ashfold, Castano, et al., 1980
Ashfold, M.N.R.; Castano, F.; Hancock, G.; Ketley, G.W., Laser-induced fluorescence of the CHF radical, Chem. Phys. Lett., 1980, 73, 3, 421, https://doi.org/10.1016/0009-2614(80)80686-5 . [all data]

Suzuki, Saito, et al., 1981
Suzuki, T.; Saito, S.; Hirota, E., Doppler-limited dye laser excitation spectroscopy of DCF, J. Mol. Spectrosc., 1981, 90, 2, 447, https://doi.org/10.1016/0022-2852(81)90138-7 . [all data]

Butcher, Saito, et al., 1984
Butcher, R.J.; Saito, S.; Hirota, E., Magnetic properties of the A 1A´´ state of HCF, J. Chem. Phys., 1984, 80, 9, 4000, https://doi.org/10.1063/1.447271 . [all data]

Suzuki, Saito, et al., 1984
Suzuki, T.; Saito, S.; Hirota, E., Rotational perturbations and the Zeeman effect in the band of HCF, Can. J. Phys., 1984, 62, 12, 1328, https://doi.org/10.1139/p84-180 . [all data]

Ibuki, Hiraya, et al., 1990
Ibuki, T.; Hiraya, A.; Shobatake, K.; Matsumi, Y.; Kawasaki, M., Vacuum ultraviolet photochemistry of CHFCl2 and CHFBr2: Absorption spectra and CHF(A 1A') radical formation, J. Chem. Phys., 1990, 92, 7, 4277, https://doi.org/10.1063/1.457787 . [all data]

Wagner, Gamperling, et al., 2000
Wagner, M.; Gamperling, M.; Braun, D.; Prohaska, M.; Huttner, W., Rotational transitions and electric dipole moment of fluorocarbene, HCF, J. Mol. Struct., 2000, 517/518, 327, https://doi.org/10.1016/S0022-2860(99)00295-1 . [all data]

Fan, Ionescu, et al., 2003
Fan, H.; Ionescu, I.; Annesley, C.; Reid, S.A., Lifetime lengthening and the Renner--Teller effect in the HCF system, Chem. Phys. Lett., 2003, 378, 5-6, 548, https://doi.org/10.1016/j.cplett.2003.08.007 . [all data]

Tao, Deselnicu, et al., 2006
Tao, C.; Deselnicu, M.; Fan, H.; Mukarakate, C.; Ionescu, I.; Reid, S.A., Electronic spectroscopy of the Ã1A´´← X1A´ system of CDF, Phys. Chem. Chem. Phys., 2006, 8, 6, 707, https://doi.org/10.1039/b514826j . [all data]

Dawes, Jasper, et al., 2010
Dawes, R.; Jasper, A.W.; Tao, C.; Richmold, C.; Mukarakate, C.; Kable, S.H.; Reid, S.A., Theoretical and Experimental Spectroscopy of the S, J. Phys. Chem. Lett., 2010, 1, 3, 641, https://doi.org/10.1021/jz900380a . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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