4-Cyanobenzyl radical
- Formula: C8H6N
- Molecular weight: 116.1399
- IUPAC Standard InChI: InChI=1S/C8H6N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H2
- IUPAC Standard InChIKey: SMVKJBOGSRFNKW-UHFFFAOYSA-N
- CAS Registry Number: 4939-73-5
- 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: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 20743.9 | gas | A-X | 445 | 580 | Fukushima, Saito, et al., 1996 | ||
| Lee and Ahn, 2000 | |||||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| b2 | (6b) | 516 | gas | LF | Fukushima, Saito, et al., 1996 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | (20a) | CH stretch | 3133 | gas | EM | Lee and Ahn, 2000 | |
| CN stretch | 2225 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Ahn, 2000 | |||
| (8a) | 1563 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Ahn, 2000 | |||
| (7a) | 1210 | gas | EM | Lee and Ahn, 2000 | |||
| (9a) | 1149 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Ahn, 2000 | |||
| (1) | 825 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Ahn, 2000 | |||
| 513 | gas | LF | Fukushima, Saito, et al., 1996 | ||||
| (6a) | 407 | gas | EM | Lee and Ahn, 2000 | |||
| a2 | (17a) | 951 | gas | EM | Lee and Ahn, 2000 | ||
| b1 | (16b) | 427 | gas | EM | Lee and Ahn, 2000 | ||
| b2 | (8b) | 1521 | gas | EM | Lee and Ahn, 2000 | ||
| (6b) | 642 | gas | LF EM | Fukushima, Saito, et al., 1996 Lee and Ahn, 2000 | |||
| (9b) | 355 | gas | LF EM | Fukushima, Saito, et al., 1996 | |||
Additional references: Jacox, 1998, page 370; Jacox, 2003, page 405
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, 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]
Lee and Ahn, 2000
Lee, S.K.; Ahn, B.U.,
Vibronic spectroscopy of jet-cooled p-cyanobenzyl radical: D1→D0 spectra and vibrational mode assignments,
Chem. Phys. Lett., 2000, 320, 5-6, 601, https://doi.org/10.1016/S0009-2614(00)00263-3
. [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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