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Fluoromethylene

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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.

Quantity Value Units Method Reference Comment
Deltafgas125.52kJ/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar223.35J/mol*KReviewChase, 1998Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 2000.2000. - 6000.
A 21.8638712.52798
B 43.5759424.19883
C -21.84111-3.532459
D 4.2254640.164806
E 0.13709529.49502
F 117.7097157.2439
G 238.5165261.6289
H 125.5200125.5200
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Deltar90. ± 15.kJ/molN/APoutsma, Paulino, et al., 1997gas phase; Relative to MeOH at «DELTA»Gacid=375.1
Deltar95.0 ± 9.2kJ/molCIDTPoutsma, Paulino, et al., 1997gas phase

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)

Quantity Value Units Method Reference Comment
IE (evaluated)10.06 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)797.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity763.8kJ/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

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:   E 3p


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 62154 ± 2 gas Irikura, Hudgens, et al., 1995


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

a' 2 Bend 1128 ± 4 gas MPI Irikura, Hudgens, et al., 1995
3 CF stretch 1614 ± 4 gas MPI Irikura, Hudgens, et al., 1995

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 30800.5 gas Tao, Reid, et al., 2007
Tao, Richmond, et al., 2011


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

a' 2 Bend 604 H gas DR Tao, Reid, et al., 2007
Tao, Richmond, et al., 2011
3 CF stretch 1327.8 gas DR Tao, Reid, et al., 2007
Tao, Richmond, et al., 2011

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 17277.47 gas A-X 388 635 Merer and Travis, 1966
Patel, Stewart, et al., 1980
Kakimoto, Saito, et al., 1981
Qiu, Zhou, et al., 1987
Schmidt, Bacskay, et al., 1999
Nauta, Guss, et al., 2004
Fan, Ionescu, et al., 2004
Fan, Mukarakate, et al., 2005
To = 17320 ± 15 Ar A-X 469 546 Jacox and Milligan, 1969


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

a' 1 CH stretch 2799.7 ± 1.2 gas LF Nauta, Guss, et al., 2004
2 Bend 1021.26 gas AB LF Merer and Travis, 1966
Hakuta, 1984
2 Bend 1000 ± 20 Ar AB Jacox and Milligan, 1969
3 CF stretch 1260 ± 2 gas LF Schmidt, Bacskay, et al., 1999

State:   a


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 5210 ± 140 gas Murray, Leopold, et al., 1988
Gilles, Ervin, et al., 1992


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

a' 2 Bend 1047 ± 25 gas PE Gilles, Ervin, et al., 1992
3 CF stretch 1232 ± 25 gas PE Gilles, Ervin, et al., 1992

State:   X


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

a' 1 CH stretch 2643.04 gas SEP LF Suzuki and Hirota, 1988
Fan, Mukarakate, et al., 2005
Mukarakete, Tao, et al., 2008
1 CH stretch 2640.5 Ne IR Wu, Chen, et al., 2010
2 Bend 1403.20 gas AB LF Merer and Travis, 1966
Hakuta, 1984
Fan, Mukarakate, et al., 2005
2 Bend 1403.20 gas SEP Suzuki and Hirota, 1988
Mukarakete, Tao, et al., 2008
2 Bend 1403.4 Ne IR Wu, Chen, et al., 2010
2 Bend 1406 w Ar IR Jacox and Milligan, 1969
3 CF stretch 1192 ± 2 gas PE LF Murray, Leopold, et al., 1988
Gilles, Ervin, et al., 1992
Fan, Mukarakate, et al., 2005
3 CF stretch 1185.4 Ne IR Wu, Chen, et al., 2010
3 CF stretch 1181.5 m Ar IR Jacox and Milligan, 1969

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

wWeak
mMedium
H(1/2)(2nu)
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

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]

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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References