NCO anion


Reaction thermochemistry 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 compiled by: John E. Bartmess

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Individual Reactions

CNO- + Hydrogen cation = Isocyanic acid

By formula: CNO- + H+ = CHNO

Quantity Value Units Method Reference Comment
Δr341.18 ± 0.61kcal/molD-EABradforth, Kim, et al., 1993gas phase; D-EA cycle requires a DH ca 4 kcal/mol weaker
Δr344.7 ± 2.1kcal/molG+TSWight and Beauchamp, 1980gas phase
Quantity Value Units Method Reference Comment
Δr334.74 ± 0.71kcal/molH-TSBradforth, Kim, et al., 1993gas phase; D-EA cycle requires a DH ca 4 kcal/mol weaker
Δr338.3 ± 2.0kcal/molIMREWight and Beauchamp, 1980gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry 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: John E. Bartmess

Protonation reactions

CNO- + Hydrogen cation = Isocyanic acid

By formula: CNO- + H+ = CHNO

Quantity Value Units Method Reference Comment
Δr341.18 ± 0.61kcal/molD-EABradforth, Kim, et al., 1993gas phase; D-EA cycle requires a DH ca 4 kcal/mol weaker
Δr344.7 ± 2.1kcal/molG+TSWight and Beauchamp, 1980gas phase
Quantity Value Units Method Reference Comment
Δr334.74 ± 0.71kcal/molH-TSBradforth, Kim, et al., 1993gas phase; D-EA cycle requires a DH ca 4 kcal/mol weaker
Δr338.3 ± 2.0kcal/molIMREWight and Beauchamp, 1980gas phase

References

Go To: Top, Reaction thermochemistry data, 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]


Notes

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