CH3(CC)2CN+
- Formula: C6H3N+
- Molecular weight: 89.0942
- CAS Registry Number: 74941-85-8
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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: C
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 28720 ± 160 | gas | Bieri, Kloster-Jensen, et al., 1980 | |||||
State: B
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 23960 ± 160 | gas | Bieri, Kloster-Jensen, et al., 1980 | |||||
State: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 17694 ± 2 | gas | A-X | 449 | 646 | Bieri, Kloster-Jensen, et al., 1980 | ||
| Klapstein, Maier, et al., 1983 | |||||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 2 | CC stretch | 2253 ± 4 | gas | LF | Klapstein, Maier, et al., 1983 | |
| 3 | CC, CN stretch | 2080 ± 4 | gas | LF | Klapstein, Maier, et al., 1983 | ||
| 4 | CC, CN stretch | 1895 ± 4 | gas | LF | Klapstein, Maier, et al., 1983 | ||
| 5 | CH3 deform. | 1205 ± 40 | T | gas | LF | Klapstein, Maier, et al., 1983 | |
| 8 | C-C stretch | 486 ± 2 | gas | EF | Klapstein, Maier, et al., 1983 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 2 | CC stretch | 2207 ± 2 | gas | EF | Bieri, Kloster-Jensen, et al., 1980 Klapstein, Maier, et al., 1983 | |
| 3 | CC, CN str. | 2093 ± 2 | gas | EF | Bieri, Kloster-Jensen, et al., 1980 Klapstein, Maier, et al., 1983 | ||
| 4 | CC, CN str. | 1980 ± 2 | gas | EF | Bieri, Kloster-Jensen, et al., 1980 Klapstein, Maier, et al., 1983 | ||
| 5 | CH3 deform. | 1340 ± 2 | T | gas | EF | Bieri, Kloster-Jensen, et al., 1980 Klapstein, Maier, et al., 1983 | |
| 8 | C-C stretch | 513 ± 2 | gas | EF | Bieri, Kloster-Jensen, et al., 1980 Klapstein, Maier, et al., 1983 | ||
Additional references: Jacox, 1994, page 413
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.
Bieri, Kloster-Jensen, et al., 1980
Bieri, G.; Kloster-Jensen, E.; Kvisle, S.; Maier, J.P.; Marthaler, O.,
J. Chem. Soc., 1980, Faraday Trans. 2 76, 676. [all data]
Klapstein, Maier, et al., 1983
Klapstein, D.; Maier, J.P.; Misev, L.; Thommen, F.; Zambach, W.,
Emission and laser-excitation spectra of rotationally cooled methylcyanodiacetylene cation (A~2EaX~2 E) and photoelectron---photon,
J. Electron Spectrosc. Relat. Phenom., 1983, 31, 3, 283, https://doi.org/10.1016/0368-2048(83)85076-2
. [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, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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