Fluoromethylene
- Formula: CHF
- Molecular weight: 32.0170
- IUPAC Standard InChIKey: YUCFVHQCAFKDQG-UHFFFAOYSA-N
- CAS Registry Number: 13453-52-6
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, 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, 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.
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, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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