4-Chlorobenzyl radical
- Formula: C7H6Cl
- Molecular weight: 125.576
- IUPAC Standard InChI: InChI=1S/C7H6Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H2
- IUPAC Standard InChIKey: CIEWGZJDEDBECJ-UHFFFAOYSA-N
- CAS Registry Number: 3327-51-3
- Chemical structure:
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Vibrational and/or electronic energy levels
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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: Marilyn E. Jacox
State: B
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 21733.8 ± 0.5 | gas | A,B-X | 436 | 515 | Fukushima and Obi, 1996 | ||
| Lee and Baek, 1999 | |||||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| 1194 | gas | LF | Fukushima and Obi, 1996 | ||||
| 1076 | gas | LF | Fukushima and Obi, 1996 | ||||
| 960 | gas | LF | Fukushima and Obi, 1996 | ||||
| 779 | gas | LF | Fukushima and Obi, 1996 | ||||
| 340 | gas | LF | Fukushima and Obi, 1996 | ||||
| 242 | gas | LF | Fukushima and Obi, 1996 | ||||
| b2 | (6b) | 623 | gas | LF | Fukushima and Obi, 1996 | ||
| 122 | gas | LF | Fukushima and Obi, 1996 | ||||
State: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 21638.7 ± 0.5 | gas | A,B-X | 436 | 515 | Fukushima and Obi, 1996 | ||
| Lee and Baek, 1999 | |||||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | (12) | 726 | gas | LF | Fukushima and Obi, 1996 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 4(8a) | 1544 | gas | EM PE | Fukushima, Saito, et al., 1996 Lee and Baek, 1999 Kim, Wenthold, et al., 1999 | ||
| (1) | 1079 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Baek, 1999 | |||
| (6a) | 811 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Baek, 1999 | |||
| (12) | 638 | gas | LF EM | Fukushima and Obi, 1996 Lee and Baek, 1999 | |||
| 559 | gas | LF | Fukushima, Saito, et al., 1996 | ||||
| (7a) | 380 | gas | EM PE | Lee and Baek, 1999 Kim, Wenthold, et al., 1999 | |||
| b2 | (8b) | 1529 | gas | EM | Lee and Baek, 1999 | ||
| (3) | 1306 | gas | EM | Lee and Baek, 1999 | |||
| (15) | 257 | gas | EM | Lee and Baek, 1999 | |||
| 209 | gas | LF | Fukushima and Obi, 1996 | ||||
Additional references: Jacox, 1998, page 370; Jacox, 2003, page 403
Notes
| 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.
Fukushima and Obi, 1996
Fukushima, M.; Obi, K.,
Laser-induced fluorescence spectra of jet cooled p-chlorobenzyl radical,
Chem. Phys. Lett., 1996, 248, 3-4, 269, https://doi.org/10.1016/0009-2614(95)01333-4
. [all data]
Lee and Baek, 1999
Lee, S.K.; Baek, D.Y.,
D1→D0 and D2→D0 transitions of the jet-cooled p-chlorobenzyl radical,
Chem. Phys. Lett., 1999, 304, 1-2, 39, https://doi.org/10.1016/S0009-2614(99)00294-8
. [all data]
Fukushima, Saito, et al., 1996
Fukushima, M.; Saito, K.; Obi, K.,
Jet Spectroscopy of theD122B1--D012B1Transition of thep-Cyanobenzyl Radical,
J. Mol. Spectrosc., 1996, 180, 2, 389, https://doi.org/10.1006/jmsp.1996.0262
. [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]
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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