2,4-Cyclopentadiene-1-one
- Formula: C5H4O
- Molecular weight: 80.0847
- IUPAC Standard InChI: InChI=1S/C5H4O/c6-5-3-1-2-4-5/h1-4H
- IUPAC Standard InChIKey: FQQOMPOPYZIROF-UHFFFAOYSA-N
- CAS Registry Number: 13177-38-3
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C5H4O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.49 | PE | Koenig, Smith, et al., 1977 | Vertical value |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, NIST Free Links, 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: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Tx = 51300 | Ar | Maier, Franz, et al., 1985 | |||||
State: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Tx = 27800 | Ar | Maier, Franz, et al., 1985 | |||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| 1870 | w m | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 1789 | w | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 1727 | vs | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 1724 | vs | Ar | IR | Maier, Franz, et al., 1985 | |||
| 1678 | w m | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 1332 | s | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 1136 | s | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 1068 | w m | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 822 | vs | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 632 | s | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
| 458 | w m | Ar | IR | Maier, Franz, et al., 1985 Maier, 1986 | |||
Additional references: Jacox, 1994, page 419
Notes
| w | Weak |
| m | Medium |
| s | Strong |
| vs | Very strong |
| x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Koenig, Smith, et al., 1977
Koenig, T.; Smith, M.; Snell, W.,
The He(I) photoelectron spectrum of cyclopentadienone,
J. Am. Chem. Soc., 1977, 99, 6663. [all data]
Maier, Franz, et al., 1985
Maier, G.; Franz, L.H.; Hartan, H.-G.; Lanz, K.; Reisenauer, H.P.,
Kleine Ringe, 54. Cyclopentadienon,
Chem. Ber., 1985, 118, 8, 3196, https://doi.org/10.1002/cber.19851180819
. [all data]
Maier, 1986
Maier, G.,
From silabenzene to cyclopropenylidene,
Pure Appl. Chem., 1986, 58, 1, 95, https://doi.org/10.1351/pac198658010095
. [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
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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