4-Fluorobenzyl radical
- Formula: C7H6F
- Molecular weight: 109.1209
- IUPAC Standard InChIKey: GVVVXNGTIKFYKV-UHFFFAOYSA-N
- CAS Registry Number: 2194-09-4
- 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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 21524.0 ± 0.2 | gas | A-X | 429 | 475 | Bindley, Watts, et al., 1964 | ||
Charlton and Thrush, 1986 | |||||||
Cossart-Magos and Cossart, 1988 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
1760 | gas | LF | Charlton and Thrush, 1986 | ||||
(7a) | 1228 | gas | LF | Fukushima and Obi, 1990 | |||
(13) | 1194 | gas | LF | Charlton and Thrush, 1986 Fukushima and Obi, 1990 | |||
(18a) | 846 | gas | LF | Fukushima and Obi, 1990 | |||
(1) | 813 | gas | LF | Charlton and Thrush, 1986 Fukushima and Obi, 1990 | |||
(6b) | 524 | gas | LF | Fukushima and Obi, 1990 | |||
(6a) | 411 | gas | LF | Fukushima and Obi, 1990 | |||
(9b) | 398 | gas | LF | Fukushima and Obi, 1990 | |||
(15) | 222 | gas | LF | Fukushima and Obi, 1990 | |||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 4(8a) | C-CH2 stretch | 1568 | gas | EM PE | Lee and Baek, 1999 Kim, Wenthold, et al., 1999 | |
(7a) | 1262 | gas | EM | Lee and Baek, 1999 | |||
(13) | 1243 | gas | EM | Lee and Baek, 1999 | |||
11(1) | 835 | gas | EM LF | Cossart-Magos and Cossart, 1988 Fukushima and Obi, 1990 Lee and Baek, 1999 | |||
12 | 754 | gas | EM | Lee and Baek, 1999 | |||
13(6a | Ring deform. | 453 | gas | EM LF | Bindley, Watts, et al., 1964 Charlton and Thrush, 1986 Cossart-Magos and Cossart, 1988 Fukushima and Obi, 1990 Lee and Baek, 1999 | ||
13(6a | Ring deform. | 453 | gas | PE | Kim, Wenthold, et al., 1999 | ||
b2 | (6b) | 632 | T | gas | EM | Lee and Baek, 1999 | |
(9b) | 420 | T | gas | EM | Lee and Baek, 1999 | ||
(15) | 323 | T | gas | EM | Lee and Baek, 1999 | ||
Additional references: Jacox, 1998, page 370; Jacox, 2003, page 402; Baek and Lee, 1998
Notes
T | Tentative assignment or approximate value |
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.
Bindley, Watts, et al., 1964
Bindley, T.F.; Watts, A.T.; Walker, S.,
Electronic emission spectra of radicals from fluorotoluenes,
Trans. Faraday Soc., 1964, 60, 1, https://doi.org/10.1039/tf9646000001
. [all data]
Charlton and Thrush, 1986
Charlton, T.R.; Thrush, B.A.,
The study of substituted benzyl radicals by laser-induced fluorescence,
Chem. Phys. Lett., 1986, 125, 5-6, 547, https://doi.org/10.1016/0009-2614(86)87096-8
. [all data]
Cossart-Magos and Cossart, 1988
Cossart-Magos, C.; Cossart, D.,
Rotational band contours of the first electronic transition origin bands of p-xylyl and p-fluorobenzyl,
Mol. Phys., 1988, 65, 3, 627, https://doi.org/10.1080/00268978800101291
. [all data]
Fukushima and Obi, 1990
Fukushima, M.; Obi, K.,
Jet spectroscopy and excited state dynamics of benzyl and substituted benzyl radicals,
J. Chem. Phys., 1990, 93, 12, 8488, https://doi.org/10.1063/1.459710
. [all data]
Lee and Baek, 1999
Lee, S.K.; Baek, D.Y.,
Vibronic analysis of the jet-cooled emission spectrum of p-fluorobenzyl radical in the D1→D0 transition,
Chem. Phys. Lett., 1999, 301, 3-4, 407, https://doi.org/10.1016/S0009-2614(98)01436-5
. [all data]
Kim, Wenthold, et al., 1999
Kim, J.B.; Wenthold, P.G.; Lineberger, W.C.,
Ultraviolet Photoelectron Spectroscopy of,
J. Phys. Chem. A, 1999, 103, 50, 10833, https://doi.org/10.1021/jp992817o
. [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]
Baek and Lee, 1998
Baek, D.Y.; Lee, S.K.,
Bull. Korean Chem. Soc., 1998, 19, 1359. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
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