m-Benzyne
- Formula: C6H4
- Molecular weight: 76.0960
- CAS Registry Number: 1828-89-3
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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 = 7350 ± 110 | gas | Wenthold, Squires, et al., 1998 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 970 ± 15 | gas | PE | Wenthold, Squires, et al., 1998 | |||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | CH stretch | 3037 | w | Ar | IR | Marquardt, Sander, et al., 1996 |
4 | Mixed | 1402 | w m | Ar | IR | Marquardt, Sander, et al., 1996 Sander, Exner, et al., 2002 | |
9 | Ring deform. | 300 | T | gas | PE | Wenthold, Squires, et al., 1998 | |
9 | Ring deform. | 367 | T | Ar | IR | Sander, Exner, et al., 2002 | |
b1 | 13 | CH OPLA | 824 | w m | Ar | IR | Marquardt, Sander, et al., 1996 Sander, Exner, et al., 2002 |
14 | CH OPLA | 751 | m s | Ar | IR | Marquardt, Sander, et al., 1996 Sander, Exner, et al., 2002 | |
15 | Ring deform. | 561 | w m | Ar | IR | Sander, Exner, et al., 2002 | |
16 | Ring deform. | 362 | T | Ar | IR | Sander, Exner, et al., 2002 | |
b2 | 18 | Mixed | 1486 | w m | Ar | IR | Marquardt, Sander, et al., 1996 Sander, Exner, et al., 2002 |
23 | HCC deform. | 936 | m | Ar | IR | Marquardt, Sander, et al., 1996 Sander, Exner, et al., 2002 | |
24 | Ring deform. | 547 | vs | Ar | IR | Marquardt, Sander, et al., 1996 Sander, Exner, et al., 2002 | |
Additional references: Jacox, 1998, page 346; Jacox, 2003, page 365
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
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.
Wenthold, Squires, et al., 1998
Wenthold, P.G.; Squires, R.R.; Lineberger, W.C.,
Ultraviolet Photoelectron Spectroscopy of the,
J. Am. Chem. Soc., 1998, 120, 21, 5279, https://doi.org/10.1021/ja9803355
. [all data]
Marquardt, Sander, et al., 1996
Marquardt, R.; Sander, W.; Kraka, E.,
1, 3-Didehydrobenzol (meta-Benzin),
Angew. Chem., 1996, 108, 7, 825, https://doi.org/10.1002/ange.19961080719
. [all data]
Sander, Exner, et al., 2002
Sander, W.; Exner, M.; Winkler, M.; Balster, A.; Hjerpe, A.; Kraka, E.; Cremer, D.,
Vibrational Spectrum of,
J. Am. Chem. Soc., 2002, 124, 44, 13072, https://doi.org/10.1021/ja012686g
. [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
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