Nitrosyl cyanide
- Formula: CN2O
- Molecular weight: 56.0235
- IUPAC Standard InChIKey: CAMRHYBKQTWSCM-UHFFFAOYSA-N
- CAS Registry Number: 4343-68-4
- 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.93 | PE | Jonkers, Mooyman, et al., 1981 | LLK |
11.50 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
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: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 46300 | T | gas | Dorko and Buelow, 1975 | ||||
Nadler, Pfab, et al., 1984 | |||||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 37000 | T | gas | Nadler, Pfab, et al., 1984 | ||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 17085 | gas | Nadler, Pfab, et al., 1984 | |||||
Nadler, Reisler, et al., 1984 | |||||||
Noble, Nadler, et al., 1984 | |||||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 11339 | gas | A-X | 540 | 971 | Horsewood and Kirby, 1971 | ||
Dorko and Buelow, 1975 | |||||||
Pfab, 1983 | |||||||
Noble, Nadler, et al., 1984 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CN stretch | 1956 | gas | PF | Noble, Nadler, et al., 1984 | |
2 | N=O stretch | 1485 | gas | PF | Noble, Nadler, et al., 1984 | ||
3 | C-N stretch | 918 | gas | PF | Noble, Nadler, et al., 1984 | ||
4 | NCN bend | 543 | gas | AB PF | Pfab, 1983 Noble, Nadler, et al., 1984 | ||
5 | CNO bend | 212.5 | gas | AB PF | Pfab, 1983 Noble, Nadler, et al., 1984 | ||
a | 6 | Torsion | 411 | gas | PF | Noble, Nadler, et al., 1984 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | CN stretch | 2170.0 | gas | IR | Bak, Nicolaisen, et al., 1979 | |
1 | CN stretch | 2163.0 | s | Ar | IR | Maier, Reisenauer, et al., 1997 | |
2 | N=O stretch | 1501.0 | gas | IR | Bak, Nicolaisen, et al., 1979 | ||
2 | N=O stretch | 1498.5 | vs | Ar | IR | Maier, Reisenauer, et al., 1997 | |
3 | C-N stretch | 820.0 | gas | IR | Dorko and Buelow, 1975 Bak, Nicolaisen, et al., 1979 | ||
3 | C-N stretch | 809.5 | s | Ar | IR | Maier, Reisenauer, et al., 1997 | |
4 | NCN bend | 588.5 | gas | IR | Bak, Nicolaisen, et al., 1979 | ||
4 | NCN bend | 576.1 | Ar | IR | Maier, Reisenauer, et al., 1997 | ||
5 | CNO bend | 212.0 ± 0.2 | gas | IR | Nicolaisen and Nielsen, 1978 | ||
a | 6 | Torsion | 264.2 | gas | IR | Nicolaisen and Nielsen, 1978 | |
Additional references: Jacox, 1994, page 188; Jacox, 2003, page 229; Dickinson, Kirby, et al., 1973; Dickinson, Kirby, et al., 1978; Nadler, Pfab, et al., 1983; Qian, Reisler, et al., 1987
Notes
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
d | Photodissociation threshold |
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.
Jonkers, Mooyman, et al., 1981
Jonkers, G.; Mooyman, R.; De Lange, C.A.,
Ultraviolet photoelectron spectroscopy of unstable species: Nitrosyl cyanide (ONCN),
Chem. Phys., 1981, 57, 97. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Dorko and Buelow, 1975
Dorko, E.A.; Buelow, L.,
Vapor-phase infrared spectrum of nitrosyl cyanide,
J. Chem. Phys., 1975, 62, 5, 1869, https://doi.org/10.1063/1.430671
. [all data]
Nadler, Pfab, et al., 1984
Nadler, I.; Pfab, J.; Reisler, H.; Wittig, C.,
The 540--900 nm photodissociation of 300 K NCNO: One- and two-photon processes,
J. Chem. Phys., 1984, 81, 2, 653, https://doi.org/10.1063/1.447746
. [all data]
Nadler, Reisler, et al., 1984
Nadler, I.; Reisler, H.; Noble, M.; Wittig, C.,
Chem. Phys. Lett., 1984, 108, 115. [all data]
Noble, Nadler, et al., 1984
Noble, M.; Nadler, I.; Reisler, H.; Wittig, C.,
The rotationally resolved A 1A´´←X 1A´ spectrum of expansion cooled NCNO: Vibrational fundamentals, rotational constants, and perturbations,
J. Chem. Phys., 1984, 81, 10, 4333, https://doi.org/10.1063/1.447444
. [all data]
Horsewood and Kirby, 1971
Horsewood, P.; Kirby, G.W.,
Chem. Commun., 1971, 1139. [all data]
Pfab, 1983
Pfab, J.,
Fourier-transform electronic absorption spectroscopy: The 800 nm near-infrared band system of nitrosyl cyanide (NCNO),
Chem. Phys. Lett., 1983, 99, 5-6, 465, https://doi.org/10.1016/0009-2614(83)80175-4
. [all data]
Bak, Nicolaisen, et al., 1979
Bak, B.; Nicolaisen, F.M.; Nielsen, O.J.; Skaarup, S.,
Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations,
J. Mol. Struct., 1979, 51, 17, https://doi.org/10.1016/0022-2860(79)80265-3
. [all data]
Maier, Reisenauer, et al., 1997
Maier, G.; Reisenauer, H.P.; Eckwert, J.; Naumann, M.; De Marco, M.,
Angew. Chem., 1997, 109, 1795. [all data]
Nicolaisen and Nielsen, 1978
Nicolaisen, F.M.; Nielsen, O.J.,
Far infrared gas spectra of nitrosyl cyanide,
J. Mol. Struct., 1978, 49, 1, 97, https://doi.org/10.1016/0022-2860(78)87009-4
. [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]
Dickinson, Kirby, et al., 1973
Dickinson, R.; Kirby, G.W.; Sweeny, J.G.; Tyler, J.K.,
Chem. Commun., 1973, 241. [all data]
Dickinson, Kirby, et al., 1978
Dickinson, R.; Kirby, G.W.; Sweeny, J.G.; Tyler, J.K.,
J. Chem. Soc., 1978, Faraday Trans. 2 74, 1393. [all data]
Nadler, Pfab, et al., 1983
Nadler, I.; Pfab, J.; Radhakrishnan, G.; Reisler, H.; Wittig, C.,
Simultaneous one- and two-photon processes in the photodissociation of NCNO using a tunable dye lasera),
J. Chem. Phys., 1983, 79, 4, 2088, https://doi.org/10.1063/1.445996
. [all data]
Qian, Reisler, et al., 1987
Qian, C.X.W.; Reisler, H.; Wittig, C.,
Radiative and non-radiative processes in jet-cooled NCNO,
Chem. Phys. Lett., 1987, 139, 2, 175, https://doi.org/10.1016/0009-2614(87)80173-2
. [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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