Isocyanato radical
- Formula: CNO
- Molecular weight: 42.0168
- IUPAC Standard InChI: InChI=1S/CNO/c2-1-3
- IUPAC Standard InChIKey: HKKDKUMUWRTAIA-UHFFFAOYSA-N
- CAS Registry Number: 22400-26-6
- Chemical structure:
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Gas phase ion energetics data
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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess
View reactions leading to CNO+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 11.76 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.6090 ± 0.0050 | LPES | Bradforth, Kim, et al., 1993 | D-EA cycle requires a DH ca 4 kcal/mol weaker; B |
| 3.454 ± 0.095 | D-EA | Wight and Beauchamp, 1980 | B |
| 3.80 ± 0.20 | EIAE | Oster and Illenberger, 1988 | B |
| >2.60 ± 0.40 | EIAE | Thynne, 1972 | From PF2NCO; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.759 ± 0.006 | PI | Ruscic and Berkowitz, 1994 | LL |
| 11.76 ± 0.01 | PE | Dyke, Jonathan, et al., 1983 | LBLHLM |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bradforth, Kim, et al., 1993
Bradforth, S.E.; Kim, E.H.; Arnold, D.W.; Neumark, D.M.,
Photoelectron Spectroscopy of CN-, NCO-, and NCS-,
J. Chem. Phys., 1993, 98, 2, 800, https://doi.org/10.1063/1.464244
. [all data]
Wight and Beauchamp, 1980
Wight, C.A.; Beauchamp, J.L.,
Acidity, basicity, and ion/molecule reactions of isocyanic acid in the gas phase by ICR spectroscopy,
J. Phys. Chem., 1980, 84, 2503. [all data]
Oster and Illenberger, 1988
Oster, T.; Illenberger, E.,
Negative Ion Formation in SF5NCO Following Low Energy Electron Attachment,
Int. J. Mass Spectrom. Ion Proc., 1988, 85, 1, 125, https://doi.org/10.1016/0168-1176(88)83010-6
. [all data]
Thynne, 1972
Thynne, J.C.J.,
Negative Ion Studies with a Time-of-Flight Mass Spectrometer.,
Dyn. Mass Spectrom., 1972, 3, 67. [all data]
Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J.,
The H-NCO bond energy and Hf(NCO) from photoionization mass spectrometric studies of HNCO and NCO,
J. Chem. Phys., 1994, 100, 4498. [all data]
Dyke, Jonathan, et al., 1983
Dyke, J.M.; Jonathan, N.; Lewis, A.E.; Mills, J.D.; Morris, A.,
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 16. The NCO (X2Π) radical,
Mol. Phys., 1983, 50, 77. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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