Thiocyanato radical
- Formula: CNS
- Molecular weight: 58.082
- CAS Registry Number: 15941-77-2
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
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 = 26987.8 | gas | B-X | 353 | 485 | Holland, Style, et al., 1958 | ||
Dixon and Ramsay, 1968 | |||||||
Northrup and Sears, 1989 | |||||||
Northrup and Sears, 1990 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Π | 2 | Bend | 343 ± 10 | gas | AB | Dixon and Ramsay, 1968 | |
Σ+ | 3 | CS stretch | 921.5 | gas | LF | Northrup and Sears, 1989 | |
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 26054.56 ± 0.01 | gas | A-X | 337 | 417 | Holland, Style, et al., 1958 | ||
Dixon and Ramsay, 1968 | |||||||
Northrup and Sears, 1989 | |||||||
Northrup and Sears, 1990 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CN stretch | 1920.61 | gas | AB LF | Dixon and Ramsay, 1968 Northrup and Sears, 1989 | |
Π | 2 | Bend (κ 2S-) | 487.2 | gas | LF | Northrup and Sears, 1989 | |
2 | Bend (2D3/2) | 445.3 | T | gas | LF | Northrup and Sears, 1989 | |
2 | Bend (2D5/2) | 363.7 | gas | LF | Northrup and Sears, 1989 | ||
2 | Bend (μ 2S+) | 304.5 | gas | LF | Northrup and Sears, 1989 | ||
Σ+ | 3 | CS stretch | 771.12 | gas | LF | Northrup and Sears, 1989 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CN stretch | 1942.2 | gas | LF | Northrup and Sears, 1989 | |
Π | 2 | Bend (w) | 376.0 ± 0.3 | gas | AB LF | Dixon and Ramsay, 1968 Northrup and Sears, 1989 | |
2 | Bend (w) | 376.0 ± 0.3 | gas | SEP | Northrup and Sears, 1990 | ||
2 | Bend (κ 2S-) | 704.84 | gas | LF | Northrup and Sears, 1989 Northrup and Sears, 1990 | ||
2 | Bend (2D3/2) | 688.17 | gas | LF | Northrup and Sears, 1989 Northrup and Sears, 1990 | ||
2 | Bend (2D5/2) | 375.1 | gas | LF | Northrup and Sears, 1989 Northrup and Sears, 1990 | ||
2 | Bend (μ 2S+) | 364.44 | gas | LF | Northrup and Sears, 1989 Northrup and Sears, 1990 | ||
Σ+ | 3 | CS stretch | 761.9 | gas | SEP | Northrup and Sears, 1990 | |
Additional references: Jacox, 1994, page 77; Jacox, 2003, page 123; Ohtoshi, Tsukiyama, et al., 1984; Tokue, Kobayashi, et al., 1990; Amano and Amano, 1991; Maeda, Habara, et al., 2007
Notes
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.
Holland, Style, et al., 1958
Holland, R.; Style, D.W.G.; Dixon, R.N.; Ramsay, D.A.,
Emission and Absorption Spectra of NCO and NCS,
Nature, 1958, 182, 4631, 336, https://doi.org/10.1038/182336a0
. [all data]
Dixon and Ramsay, 1968
Dixon, R.N.; Ramsay, D.A.,
Electronic absorption spectrum of the NCS free radical,
Can. J. Phys., 1968, 46, 23, 2619, https://doi.org/10.1139/p68-628
. [all data]
Northrup and Sears, 1989
Northrup, F.J.; Sears, T.J.,
Laser-induced fluorescence spectroscopy of NCS in a free jet expansion,
J. Chem. Phys., 1989, 91, 2, 762, https://doi.org/10.1063/1.457128
. [all data]
Northrup and Sears, 1990
Northrup, F.J.; Sears, T.J.,
Renner-Teller, spin-orbit and Fermi-resonance interactions in X,
Mol. Phys., 1990, 71, 1, 45, https://doi.org/10.1080/00268979000101631
. [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]
Ohtoshi, Tsukiyama, et al., 1984
Ohtoshi, H.; Tsukiyama, K.; Yanagibori, A.; Shibuya, K.; Obi, K.; Tanaka, I.,
Laser induced fluorescence of NCS in the gas phase,
Chem. Phys. Lett., 1984, 111, 1-2, 136, https://doi.org/10.1016/0009-2614(84)80451-0
. [all data]
Tokue, Kobayashi, et al., 1990
Tokue, I.; Kobayashi, K.; Honda, T.; Ito, Y.,
Isothiocyanate radical produced by electron impact on methyl isothiocyanate and methyl thiocyanate,
J. Phys. Chem., 1990, 94, 9, 3485, https://doi.org/10.1021/j100372a024
. [all data]
Amano and Amano, 1991
Amano, T.; Amano, T.,
Millimeter-wave spectrum of NCS radical in the ground 2Π state,
J. Chem. Phys., 1991, 95, 4, 2275, https://doi.org/10.1063/1.460985
. [all data]
Maeda, Habara, et al., 2007
Maeda, A.; Habara, H.; Amano, T.,
Submillimetre-wave spectrum of NCS,
Mol. Phys., 2007, 105, 5-7, 477, https://doi.org/10.1080/00268970701233364
. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.