Fluoromethylene
- Formula: CHF
- Molecular weight: 32.0170
- IUPAC Standard InChIKey: YUCFVHQCAFKDQG-UHFFFAOYSA-N
- 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
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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: 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 • 4294967295) + = 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 |
---|---|---|---|---|---|
ΔrH° | 90. ± 15. | kJ/mol | N/A | Poutsma, Paulino, et al., 1997 | gas phase; Relative to MeOH at ΔGacid=375.1 |
ΔrH° | 95.0 ± 9.2 | kJ/mol | CIDT | Poutsma, Paulino, et al., 1997 | gas phase |
Vibrational and/or electronic energy levels
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 compiled by: Marilyn E. Jacox
State: E 3p
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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
w | Weak |
m | Medium |
H | (1/2)(2ν) |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Reaction thermochemistry 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.
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]
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]
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]
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]
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, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.