C4D2+
- Formula: C4D2+
- Molecular weight: 52.0705
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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: D
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 52930 ± 160 | gas | Baker and Turner, 1968 | |||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 19740.683 ± 0.002 | gas | A-X | 485 | 640 | Callomon, 1956 | ||
Kuhn, Maier, et al., 1986 | |||||||
Lecoultre, Maier, et al., 1988 | |||||||
To = 19727 ± 2 | Ne | A-X | 468 | 600 | Bondybey and English, 1979 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | CD stretch | 2296 | gas | EM | Callomon, 1956 | |
2 | CC stretch | 1770 ± 40 | gas | PE | Baker and Turner, 1968 | ||
2 | CC stretch | 1892 ± 2 | Ne | LF | Bondybey and English, 1979 | ||
3 | C-C stretch | 800 ± 40 | gas | PE | Baker and Turner, 1968 | ||
3 | C-C stretch | 782 ± 2 | Ne | LF | Bondybey and English, 1979 | ||
Πg | 7 | Skel. deform. | 418 | Ne | LF | Bondybey and English, 1979 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | CD stretch | 2531.1 | gas | EM | Callomon, 1956 | |
1 | CD stretch | 2534 ± 2 | Ne | LF | Bondybey and English, 1979 | ||
2 | CC stretch | 2066.3 | gas | EM | Callomon, 1956 | ||
2 | CC stretch | 2067 ± 2 | Ne | LF | Bondybey and English, 1979 | ||
3 | C-C stretch | 939.6 | gas | EM | Callomon, 1956 | ||
3 | C-C stretch | 932 ± 3 | Ne | LF | Bondybey and English, 1979 | ||
Σu+ | 4 | CD stretch | 2180 ± 40 | gas | PE | Baker and Turner, 1968 | |
Πg | 7 | Deformation | 412.8 | gas | EM | Callomon, 1956 | |
7 | Deformation | 414 ± 2 | Ne | LF | Bondybey and English, 1979 | ||
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.
Baker and Turner, 1968
Baker, C.; Turner, D.W.,
High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes,
Proc. Roy. Soc. (London), 1968, A308, 19. [all data]
Callomon, 1956
Callomon, J.H.,
AN EMISSION SPECTRUM OF THE DIACETYLENE ION: A STUDY OF SCHÜLER'S "T" SPECTRUM UNDER HIGH RESOLUTION,
Can. J. Phys., 1956, 34, 10, 1046, https://doi.org/10.1139/p56-116
. [all data]
Kuhn, Maier, et al., 1986
Kuhn, R.; Maier, J.P.; Ochsner, M.,
Absolute rotational assignment of the origin band of the,
Mol. Phys., 1986, 59, 3, 441, https://doi.org/10.1080/00268978600102181
. [all data]
Lecoultre, Maier, et al., 1988
Lecoultre, J.; Maier, J.P.; Rosslein, M.,
Geometric structure of diacetylene cation in the X 2Πg and A 2Πu electronic states,
J. Chem. Phys., 1988, 89, 10, 6081, https://doi.org/10.1063/1.455423
. [all data]
Bondybey and English, 1979
Bondybey, V.E.; English, J.H.,
Electronic spectrum of the diacetylene radical cation in solid rare gases,
J. Chem. Phys., 1979, 71, 2, 777, https://doi.org/10.1063/1.438366
. [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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