Methylene, bromofluoro-
- Formula: CBrF
- Molecular weight: 110.913
- IUPAC Standard InChIKey: ZJCFOZHHYJVNNP-UHFFFAOYSA-N
- CAS Registry Number: 4539-11-1
- 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:
- Data at other public NIST sites:
- Options:
Gas phase ion energetics 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: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
12. ± 1. | DER | Langford and Harris, 1990 |
Vibrational and/or electronic energy levels
Go To: Top, 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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 23270.97 | gas | A-X | 415 | 580 | Purdy and Thrush, 1980 | ||
Schlachta, Lask, et al., 1991 | |||||||
Knepp, Scalley, et al., 1998 | |||||||
Truscott, Elliott, et al., 2009 | |||||||
To | Ar | A-X | 442 | 535 | Miller and Andrews, 1980 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CF stretch | 1140 | gas | LF | Schlachta, Lask, et al., 1991 Knepp, Scalley, et al., 1998 | |
2 | Bend | 301.2 | gas | LF | Schlachta, Lask, et al., 1991 Knepp, Scalley, et al., 1998 Truscott, Elliott, et al., 2009 | ||
2 | Bend | 240 ± 40 | Ar | LF | Miller and Andrews, 1980 | ||
3 | CBr stretch | 493.8 | gas | LF | Truscott, Elliott, et al., 2009 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CF stretch | 1157 | vs | Ar | IR | Prochaska and Andrews, 1980 |
2 | Bend | 346.58 | gas | LF | Purdy and Thrush, 1980 Knepp, Scalley, et al., 1998 Truscott, Elliott, et al., 2009 | ||
2 | Bend | 340 ± 5 | Ar | LF | Miller and Andrews, 1980 | ||
3 | CBr stretch | 656.76 | gas | LF | Knepp, Scalley, et al., 1998 Truscott, Elliott, et al., 2009 | ||
3 | CBr stretch | 656 | s | Ar | IR | Prochaska and Andrews, 1980 | |
Additional references: Jacox, 1994, page 98; Jacox, 2003, page 138
Notes
s | Strong |
vs | Very strong |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, 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.
Langford and Harris, 1990
Langford, M.L.; Harris, F.M.,
Experimental determination of the energies required to ionize the ions CFCl+, CFBr+, CClBr+, CF2Cl+, CF2Br+, CCl2F+, CBr2F+, and CBr2Cl+,
Int. J. Mass Spectrom. Ion Phys., 1990, 96, 111. [all data]
Purdy and Thrush, 1980
Purdy, J.R.; Thrush, B.A.,
Laser-induced fluorescence of CFBr in the gas phase,
Chem. Phys. Lett., 1980, 73, 2, 228, https://doi.org/10.1016/0009-2614(80)80362-9
. [all data]
Schlachta, Lask, et al., 1991
Schlachta, R.; Lask, G.; Bondybey, V.E.,
Laser-excitation spectrum of supersonically cooled bromofluorocarbene in the gas phase,
Chem. Phys. Lett., 1991, 180, 4, 275, https://doi.org/10.1016/0009-2614(91)90318-4
. [all data]
Knepp, Scalley, et al., 1998
Knepp, P.T.; Scalley, C.K.; Bacskay, G.B.; Kable, S.H.,
Electronic spectroscopy and ab initio quantum chemical study of the A([sup 1]A[sup ´´])-X([sup 1]A[sup ´]) transition of CFBr,
J. Chem. Phys., 1998, 109, 6, 2220, https://doi.org/10.1063/1.476790
. [all data]
Truscott, Elliott, et al., 2009
Truscott, B.S.; Elliott, N.L.; Western, C.M.,
A reanalysis of the A [sup 1]A[sup ´´]-X [sup 1]A[sup ´] transition of CFBr,
J. Chem. Phys., 2009, 130, 23, 234301, https://doi.org/10.1063/1.3149785
. [all data]
Miller and Andrews, 1980
Miller, J.C.; Andrews, L.,
Emission spectrum of fluorobromocarbene in solid argon at 12 K,
J. Phys. Chem., 1980, 84, 4, 401, https://doi.org/10.1021/j100441a011
. [all data]
Prochaska and Andrews, 1980
Prochaska, F.T.; Andrews, L.,
Infrared and visible absorption spectra and photochemistry of the Ch2FX+, CHFX+, F--H•••(CHX)-, and X--H•••(CHF)- molecular ions in solid argon,
J. Chem. Phys., 1980, 73, 6, 2651, https://doi.org/10.1063/1.440478
. [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, 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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- 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.