CCCN
- Formula: C3N
- Molecular weight: 50.0388
- CAS Registry Number: 62435-43-2
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Vibrational and/or electronic energy levels
Go To: Top, References, Notes
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: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 27929.98 | gas | B-X | 343 | 358 | Hoshina and Endo, 2007 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 3 | C-C stretch | 869.7 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | |
Π | 4 | trans-Bend | 321.0 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | |
5 | cis-Bend (S-) | 188.6 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | ||
5 | cis-Bend (S+) | 147.3 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | ||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 1844 ± 3 | gas | Hoshina and Endo, 2007 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 3 | C-C stretch (w) | 883 ± 4 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | |
Π | 5 | cis-Bend (w) | 121 ± 4 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | 2303 | Ar | IR MO | Khriachtchev, Lignell, et al., 2006 Kolos, Gronowski, et al., 2008 | ||
1 | 2298 | Kr | IR MO | Khriachtchev, Lignell, et al., 2006 Kolos, Gronowski, et al., 2008 | |||
1 | 2280 | Xe | IR MO | Khriachtchev, Lignell, et al., 2006 Kolos, Gronowski, et al., 2008 | |||
2 | 2079 | Ar | IR MO | Khriachtchev, Lignell, et al., 2006 Kolos, Gronowski, et al., 2008 | |||
2 | 2076 | Kr | IR MO | Khriachtchev, Lignell, et al., 2006 Kolos, Gronowski, et al., 2008 | |||
2 | 2066 | Xe | IR MO | Khriachtchev, Lignell, et al., 2006 Kolos, Gronowski, et al., 2008 | |||
3 | C-C stretch (w) | 1053 ± 3 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | ||
Π | 4 | trans-Bend (w) | 404 ± 3 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | |
5 | cis-Bend (w) | 131 ± 4 | gas | LF | Hoshina and Endo, 2007 Khriachtchev, Lignell, et al., 2006 | ||
Additional references: Jacox, 1994, page 183; Jacox, 1998, page 247; Guelin, 1981; Gottlieb, Gottlieb, et al., 1983; Mikami, Yamamoto, et al., 1989; McCarthy, Gottlieb, et al., 1995; McCarthy, Fuchs, et al., 2003; Amano, 2010
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.
Hoshina and Endo, 2007
Hoshina, K.; Endo, Y.,
Laser induced fluorescence spectroscopy of the C[sub 3]N radical,
J. Chem. Phys., 2007, 127, 18, 184304, https://doi.org/10.1063/1.2783846
. [all data]
Khriachtchev, Lignell, et al., 2006
Khriachtchev, L.; Lignell, A.; Tanskanen, H.; Lundell, J.; Kiljunen, H.; Rasanen, M.,
Insertion of Noble Gas Atoms into Cyanoacetylene: An ab Initio and Matrix Isolation Study,
J. Phys. Chem. A, 2006, 110, 42, 11876, https://doi.org/10.1021/jp063731f
. [all data]
Kolos, Gronowski, et al., 2008
Kolos, R.; Gronowski, M.; Botschwina, P.,
Matrix isolation IR spectroscopic and ab initio studies of C[sub 3]N[sup -] and related species,
J. Chem. Phys., 2008, 128, 15, 154305, https://doi.org/10.1063/1.2902289
. [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]
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]
Guelin, 1981
Guelin, M.,
F. Friberg, 1981, an A. Mezaoui, Astron. Astrophys. 109, 23. [all data]
Gottlieb, Gottlieb, et al., 1983
Gottlieb, C.A.; Gottlieb, E.W.; Thaddeus, P.; Kawamura, H.,
Laboratory detection of the C3N an C4H free radicals,
Astrophys. J., 1983, 275, 916, https://doi.org/10.1086/161585
. [all data]
Mikami, Yamamoto, et al., 1989
Mikami, H.; Yamamoto, S.; Saito, S.; Guelin, M.,
Astron. Astrophys., 1989, 217, L5. [all data]
McCarthy, Gottlieb, et al., 1995
McCarthy, M.C.; Gottlieb, C.A.; Thaddeus, P.; Horn, M.; Botschwina, P.,
Structure of the CCCN and CCCCH radicals: Isotopic substitution and ab initio theory,
J. Chem. Phys., 1995, 103, 18, 7820, https://doi.org/10.1063/1.470198
. [all data]
McCarthy, Fuchs, et al., 2003
McCarthy, M.C.; Fuchs, G.W.; Kucera, J.; Winnewisser, G.; Thaddeus, P.,
Rotational spectra of C[sub 4]N, C[sub 6]N, and the isotopic species of C[sub 3]N,
J. Chem. Phys., 2003, 118, 8, 3549, https://doi.org/10.1063/1.1534104
. [all data]
Amano, 2010
Amano, T.,
Submillimeter-wave spectrum of in the extended negative glow and hollow-anode discharges,
J. Mol. Spectrosc., 2010, 259, 1, 16, https://doi.org/10.1016/j.jms.2009.10.004
. [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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