Phenol,2,3,4-trifluoro-
- Formula: C6H3F3O
- Molecular weight: 148.0826
- IUPAC Standard InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
- CAS Registry Number: 2822-41-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 2,3,4-Trifluorophenol
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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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.19 ± 0.02 | PE | Maier, Marthaler, et al., 1980 | Vertical value |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | SRD/NIST Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | EPA-IR VAPOR PHASE LIBRARY |
State | gas |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 23795 ± 6 | gas | B-X | 400 | 500 | Maier, Marthaler, et al., 1980 | ||
Maier, Misev, et al., 1980 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 680 ± 10 | gas | LF | Maier, Misev, et al., 1980 | |||
450 ± 10 | gas | LF | Maier, Misev, et al., 1980 | ||||
270 ± 10 | gas | LF | Maier, Misev, et al., 1980 | ||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1660 ± 10 | gas | LF | Maier, Misev, et al., 1980 | |||
460 ± 10 | gas | LF | Maier, Misev, et al., 1980 | ||||
260 ± 10 | gas | LF | Maier, Misev, et al., 1980 | ||||
Additional references: Jacox, 1994, page 445
Notes
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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.
Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Mohraz, M.,
Emission spectra of the cations of some fluorosubstituted phenols in the gaseous phase,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 11. [all data]
Maier, Misev, et al., 1980
Maier, J.P.; Misev, L.; Shiley, R.H.,
Laser Induced Excitation Spectra of the Cations of Some Fluoro-substituted Phenols (??2 A? ? ??2 A?) in the Gaseous Phase,
Helv. Chim. Acta, 1980, 63, 7, 1920, https://doi.org/10.1002/hlca.19800630719
. [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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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