HNCCC
- Formula: C3HN
- Molecular weight: 51.0467
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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: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 1 | NH stretch | 3562 | m | Ar | IR | Kolos and Sobolewski, 2001 Guennoun, Couturier-Tamburelli, et al., 2003 Khriachtchev, Lignell, et al., 2006 |
| 1 | NH stretch | 3551 | Kr | IR | Khriachtchev, Lignell, et al., 2006 | ||
| 1 | NH stretch | 3549 | T | Xe | IR | Khriachtchev, Lignell, et al., 2006 | |
| 2 | NC stretch | 2205 | vs | Ar | IR | Kolos and Sobolewski, 2001 Guennoun, Couturier-Tamburelli, et al., 2003 Khriachtchev, Lignell, et al., 2006 | |
| 2 | NC stretch | 2200 | Kr | IR | Khriachtchev, Lignell, et al., 2006 | ||
| 2 | NC stretch | 2196 | Xe | IR | Khriachtchev, Lignell, et al., 2006 | ||
| 3 | Skel. stretch | 1905 | w | Ar | IR | Kolos and Sobolewski, 2001 Guennoun, Couturier-Tamburelli, et al., 2003 Khriachtchev, Lignell, et al., 2006 | |
| 3 | Skel. stretch | 1903 | Kr | IR | Khriachtchev, Lignell, et al., 2006 | ||
| 3 | Skel. stretch | 1901 | Xe | IR | Khriachtchev, Lignell, et al., 2006 | ||
Additional references: Jacox, 1994, page 267; Jacox, 2003, page 273; Hirahara, Ohshima, et al., 1993
Notes
| w | Weak |
| m | Medium |
| vs | Very strong |
| T | Tentative assignment or approximate value |
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.
Kolos and Sobolewski, 2001
Kolos, R.; Sobolewski, A.L.,
The infrared spectroscopy of HNCCC: matrix isolation and density functional theory study,
Chem. Phys. Lett., 2001, 344, 5-6, 625, https://doi.org/10.1016/S0009-2614(01)00793-X
. [all data]
Guennoun, Couturier-Tamburelli, et al., 2003
Guennoun, Z.; Couturier-Tamburelli, I.; Pietri, N.; Aycard, J.P.,
UV photoisomerisation of cyano and dicyanoacetylene: the first identification of CCNCH and CCCNCN isomers -- matrix isolation, infrared and ab initio study,
Chem. Phys. Lett., 2003, 368, 5-6, 574, https://doi.org/10.1016/S0009-2614(02)01898-5
. [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]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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]
Hirahara, Ohshima, et al., 1993
Hirahara, Y.; Ohshima, Y.; Endo, Y.,
Laboratory detection of HNCCC and DNCCC by pulsed discharge nozzle Fourier-transform microwave spectroscopy,
Astrophys. J., 1993, 403, L83, https://doi.org/10.1086/186727
. [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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