CD3(CC)2CD3+
- Formula: C6D6+
- Molecular weight: 84.1483
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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 = 20575 | gas | A-X | Maier, Marthaler, et al., 1980 | ||||
Maier and Misev, 1980 | |||||||
Klapstein, Kuhn, et al., 1983 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1g | CC stretch | 2137 ± 10 | gas | LF | Maier and Misev, 1980 | ||
1236 | gas | LF EF | Maier and Misev, 1980 Klapstein, Kuhn, et al., 1983 | ||||
5 | C-C stretch | 483 | gas | EF LF | Maier, Marthaler, et al., 1980 Maier and Misev, 1980 Klapstein, Kuhn, et al., 1983 | ||
eg | 20 | Skel. bend | 230 | H | gas | EF | Klapstein, Kuhn, et al., 1983 |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1g | 2 | CC stretch | 2248 | gas | EF | Maier, Marthaler, et al., 1980 Klapstein, Kuhn, et al., 1983 | |
4 | C-C stretch | 1335 | gas | EF | Maier, Marthaler, et al., 1980 Klapstein, Kuhn, et al., 1983 | ||
5 | C-C stretch | 509 | gas | EF | Maier, Marthaler, et al., 1980 Klapstein, Kuhn, et al., 1983 | ||
eg | 20 | Skel. deform. | 217 | H | gas | EF | Klapstein, Kuhn, et al., 1983 |
Notes
H | (1/2)(2ν) |
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.
Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Kloster-Jensen, E.,
Emission spectra of alkyl substituted diacetylene radical cations: CH3--C≡C--C≡C--R+ with R=H, D, CH3, and CD3; CD3--C≡C--C≡C--R+ with R=H, D, CD3 and C2H5--C≡C--C≡C--R+ with R=H and C2H5. Competition of the radiative A (π-1) → X (π-1) and fragmentation decay of their A (π-1) states,
J. Chem. Phys., 1980, 72, 1, 701, https://doi.org/10.1063/1.438905
. [all data]
Maier and Misev, 1980
Maier, J.P.; Misev, L.,
Laser induced excitation spectra of the cations of 1,3-pentadiynes, R«58872»(C«58876»C)«58872»2H+; R «58875» CH3, CD3: (2E ← 2E) and of 2,4-hexadiynes, R«58872» (C«58876»C)«58872»2R+; R «58875» CH3, CD3; (2Eu ← 2Eg) in the gaseous phase,
Chem. Phys., 1980, 51, 3, 311, https://doi.org/10.1016/0301-0104(80)80105-4
. [all data]
Klapstein, Kuhn, et al., 1983
Klapstein, D.; Kuhn, R.; Leutwyler, S.; Maier, J.P.,
Emission spectra of supersonically cooled dimethyldiacetylene cations,
Chem. Phys., 1983, 78, 2, 167, https://doi.org/10.1016/0301-0104(83)85105-2
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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