Cyanogen isothiocyanate
- Formula: C2N2S
- Molecular weight: 84.100
- IUPAC Standard InChI: InChI=1S/C2N2S/c3-1-4-2-5
- IUPAC Standard InChIKey: VMPYZMFURVPIHK-UHFFFAOYSA-N
- CAS Registry Number: 56023-03-1
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 10.58 | PE | King and Kroto, 1984 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, 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: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| 1 | CN stretch | 2260.9 | gas | IR CARS | DeVore, 1987 Li, Wong, et al., 2003 | ||
| 2 | CN stretch | 2016.4 | gas | IR CARS | DeVore, 1987 Li, Wong, et al., 2003 | ||
| Skel. bend | 97 ± 11 | gas | MW | King, Kroto, et al., 1985 | |||
Additional references: Jacox, 1994, page 284; King and Kroto, 1980
References
Go To: Top, Gas phase ion energetics data, 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.
King and Kroto, 1984
King, M.A.; Kroto, H.W.,
He I photoelectron study of cyanogen isothiocyanate, NCNCS, produced by thermal isomerization of sulfur dicyanide, S(CN)2,
J. Am. Chem. Soc., 1984, 106, 7347. [all data]
DeVore, 1987
DeVore, T.C.,
The infrared spectra of the halogen isocyanate and thiocyanate vapor molecules,
J. Mol. Struct., 1987, 162, 3-4, 287, https://doi.org/10.1016/0022-2860(87)87060-6
. [all data]
Li, Wong, et al., 2003
Li, P.; Wong, L.K.; Fan, W.Y.,
Vibrational spectroscopy and 266 nm photochemistry of NCNCS and CNCN,
Chem. Phys. Lett., 2003, 380, 1-2, 117, https://doi.org/10.1016/j.cplett.2003.09.016
. [all data]
King, Kroto, et al., 1985
King, M.A.; Kroto, H.W.; Landsberg, B.M.,
Microwave spectrum of the quasilinear molecule, cyanogen isothiocyanate (NCNCS),
J. Mol. Spectrosc., 1985, 113, 1, 1, https://doi.org/10.1016/0022-2852(85)90114-6
. [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]
King and Kroto, 1980
King, M.A.; Kroto, H.W.,
J. Chem. Soc., 1980, Chem. Commun. 606. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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