H(CC)3CN+
- Formula: C7HN+
- Molecular weight: 99.0890
- CAS Registry Number: 129066-55-3
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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 = 14925.42 | gas | Sinclair, Pfluger, et al., 2000 | |||||
To = 14836 | Ne | A-X | 594 | 820 | Forney, Freivogel, et al., 1995 | ||
Smith, Agreiter, et al., 1995 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 5 | CN stretch | 1969 ± 5 | Ne | AB | Forney, Freivogel, et al., 1995 | |
6 | C-C stretch | 1578 ± 5 | Ne | AB | Forney, Freivogel, et al., 1995 | ||
7 | C-C stretch | 1017 ± 5 | Ne | AB | Forney, Freivogel, et al., 1995 | ||
8 | C-C stretch | 459 ± 5 | Ne | AB | Forney, Freivogel, et al., 1995 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 2 | CN stretch | 2180.2 | Ne | LF | Smith, Agreiter, et al., 1995 | |
3 | CC stretch | 2159.6 | Ne | LF | Smith, Agreiter, et al., 1995 | ||
4 | CC stretch | 2128.5 | Ne | LF | Smith, Agreiter, et al., 1995 | ||
5 | CC stretch | 1938.3 | Ne | LF | Smith, Agreiter, et al., 1995 | ||
6 | C-C stretch | 957.2 | Ne | LF | Smith, Agreiter, et al., 1995 | ||
7 | C-C stretch | 881.0 | Ne | LF | Smith, Agreiter, et al., 1995 | ||
8 | C-C stretch | 464.5 | Ne | LF | Smith, Agreiter, et al., 1995 | ||
Additional references: Jacox, 1998, page 362; Jacox, 2003, page 388
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.
Sinclair, Pfluger, et al., 2000
Sinclair, W.E.; Pfluger, D.; Verdes, D.; Maier, J.P.,
Rotationally resolved A [sup 2]Π←X [sup 2]Π electronic absorption spectrum of cyanotriacetylene cation in the gas phase,
J. Chem. Phys., 2000, 112, 20, 8899, https://doi.org/10.1063/1.481503
. [all data]
Forney, Freivogel, et al., 1995
Forney, D.; Freivogel, P.; Fulara, J.; Maier, J.P.,
Electronic absorption spectra of cyano-substituted polyacetylene cations in neon matrices,
J. Chem. Phys., 1995, 102, 4, 1510, https://doi.org/10.1063/1.468883
. [all data]
Smith, Agreiter, et al., 1995
Smith, A.M.; Agreiter, J.; Bondybey, V.E.,
Laser-induced fluorescence of matrix-isolated H«58872»C«58876»C«58872»C«58876»C«58872»C«58876»N+ and H«58872»C«58876»C«58872»C«58876»C«58872»C«58876»C«58872»C«58876»N+,
Chem. Phys. Lett., 1995, 244, 5-6, 379, https://doi.org/10.1016/0009-2614(95)00915-Q
. [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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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