C8H2+
- Formula: C8H2+
- Molecular weight: 98.1009
- CAS Registry Number: 61866-07-7
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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: E
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 41254 ± 34 | Ne | E-X | 231 | 243 | Fulara, Grutter, et al., 2007 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 3 | 2036 ± 50 | Ne | AB | Fulara, Grutter, et al., 2007 | ||
State: D
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 31300 ± 200 | gas | Allan, Heilbronner, et al., 1976 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
400 | T | gas | PE | Allan, Heilbronner, et al., 1976 | |||
State: C'
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 24600 ± 200 | gas | Allan, Heilbronner, et al., 1976 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1960 ± 80 | gas | PE | Allan, Heilbronner, et al., 1976 | |||
1380 ± 80 | gas | PE | Allan, Heilbronner, et al., 1976 | ||||
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 20220 ± 3 | gas | Rice, Rudnev, et al., 2010 | |||||
To = 20194 ± 8 | Ne | C-X | 406 | 496 | Fulara, Grutter, et al., 2007 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 3 | 2048 ± 12 | Ne | AB | Fulara, Grutter, et al., 2007 | ||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 17661 ± 1 | gas | Rice, Rudnev, et al., 2010 | |||||
To = 17590 ± 6 | Ne | B-X | 500 | 569 | Fulara, Grutter, et al., 2007 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 3 | 1926 ± 10 | Ne | AB | Fulara, Grutter, et al., 2007 | ||
4 | 1218 ± 10 | Ne | AB | Fulara, Grutter, et al., 2007 | |||
5 | 464 ± 10 | Ne | AB | Fulara, Grutter, et al., 2007 | |||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 14143.18 | gas | A-X | Allan, Heilbronner, et al., 1976 | ||||
Allan, Kloster-Jensen, et al., 1976 | |||||||
Pfluger, Motylewski, et al., 2000 | |||||||
Dzhonson, Jochnowitz, et al., 2007 | |||||||
To = 13975 | Ne | A-X | 625 | 845 | Smith, Agreiter, et al., 1994 | ||
Freivogel, Fulara, et al., 1994 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 3 | CC stretch | 1950 ± 80 | gas | PE | Allan, Heilbronner, et al., 1976 | |
3 | CC stretch | 2029.5 | Ne | LF AB | Smith, Agreiter, et al., 1994 Freivogel, Fulara, et al., 1994 | ||
5 | C-C stretch | 463 | Ne | LF AB | Smith, Agreiter, et al., 1994 Freivogel, Fulara, et al., 1994 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 2 | CC stretch | 2100 ± 80 | gas | PE | Allan, Heilbronner, et al., 1976 | |
2 | CC stretch | 2141.0 | Ne | LF | Smith, Agreiter, et al., 1994 | ||
3 | CC stretch | 2040.5 | Ne | LF | Smith, Agreiter, et al., 1994 | ||
5 | C-C stretch | 472.2 | Ne | LF | Smith, Agreiter, et al., 1994 | ||
Π | 17 | Deform. | 88.5 | H T | Ne | LF | Smith, Agreiter, et al., 1994 |
Additional references: Jacox, 1998, page 351; Jacox, 2003, page 374
Notes
H | (1/2)(2ν) |
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.
Fulara, Grutter, et al., 2007
Fulara, J.; Grutter, M.; Maier, J.P.,
Higher Excited Electronic Transitions of Polyacetylene Cations HC,
J. Phys. Chem. A, 2007, 111, 46, 11831, https://doi.org/10.1021/jp075807t
. [all data]
Allan, Heilbronner, et al., 1976
Allan, M.; Heilbronner, E.; Kloster-Jensen, E.; Maier, J.P.,
The {PI}-states of tetraacetylene radical cation,
Chem. Phys. Lett., 1976, 41, 228. [all data]
Rice, Rudnev, et al., 2010
Rice, C.A.; Rudnev, V.; Dietsche, R.; Maier, J.P.,
GAS-PHASE ELECTRONIC SPECTRA OF POLYACETYLENE CATIONS: RELEVANCE OF HIGHER EXCITED STATES,
Astronom. J., 2010, 140, 1, 203, https://doi.org/10.1088/0004-6256/140/1/203
. [all data]
Allan, Kloster-Jensen, et al., 1976
Allan, M.; Kloster-Jensen, E.; Maier, J.P.,
Emission spectra of the radical cations of diacetylene (Ã2Πu→X2Πg), triacetylene (Ã2Πg→X2Πu), and tetraacetylene (Ã2Πu→X2Πg,O00), and the lifetimes of some vibronic levels of the à states,
Chem. Phys., 1976, 17, 1, 11, https://doi.org/10.1016/0301-0104(76)85002-1
. [all data]
Pfluger, Motylewski, et al., 2000
Pfluger, D.; Motylewski, T.; Linnartz, H.; Sinclair, W.E.; Maier, J.P.,
Rotationally resolved electronic spectrum of tetraacetylene cation,
Chem. Phys. Lett., 2000, 329, 1-2, 29, https://doi.org/10.1016/S0009-2614(00)00976-3
. [all data]
Dzhonson, Jochnowitz, et al., 2007
Dzhonson, A.; Jochnowitz, E.B.; Maier, J.P.,
Electronic Gas-Phase Spectra of Larger Polyacetylene Cations,
J. Phys. Chem. A, 2007, 111, 10, 1887, https://doi.org/10.1021/jp067439j
. [all data]
Smith, Agreiter, et al., 1994
Smith, A.M.; Agreiter, J.; Hartle, M.; Engel, C.; Bondybey, V.E.,
Rare gas matrix studies of absorption and fluorescence of reactive intermediates formed in discharges through acetylene,
Chem. Phys., 1994, 189, 2, 315, https://doi.org/10.1016/0301-0104(94)00299-1
. [all data]
Freivogel, Fulara, et al., 1994
Freivogel, P.; Fulara, J.; Lessen, D.; Forney, D.; Maier, J.P.,
Absorption spectra of conjugated hydrocarbon cation chains in neon matrices,
Chem. Phys., 1994, 189, 2, 335, https://doi.org/10.1016/0301-0104(94)00243-6
. [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
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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