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Isocyanato radical


Gas phase ion energetics data

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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 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 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
3.6090 ± 0.0050LPESBradforth, Kim, et al., 1993D-EA cycle requires a DH ca 4 kcal/mol weaker; B
3.454 ± 0.095D-EAWight and Beauchamp, 1980B
3.80 ± 0.20EIAEOster and Illenberger, 1988B
>2.60 ± 0.40EIAEThynne, 1972From PF2NCO; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.759 ± 0.006PIRuscic and Berkowitz, 1994LL
11.76 ± 0.01PEDyke, Jonathan, et al., 1983LBLHLM

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 (X2«PI») radical, Mol. Phys., 1983, 50, 77. [all data]


Notes

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