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NCS anion


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 compiled by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.5370 ± 0.0050LPESBradforth, Kim, et al., 1993Acid HNCS. HSCN up by ca. 8 kcal/mol
1.99475SIPage, 1972The Magnetron method, lacking mass analysis, is not considered reliable.
2.147 ± 0.022SINapper and Page, 1963From (SCN)2 The Magnetron method, lacking mass analysis, is not considered reliable.

Protonation reactions

CNS- + Hydrogen cation = Isothiocyanic acid

By formula: CNS- + H+ = CHNS

Quantity Value Units Method Reference Comment
Deltar<325.3 ± 1.1kcal/molD-EABradforth, Kim, et al., 1993gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol
Deltar328.6 ± 5.1kcal/molG+TSBierbaum, Grabowski, et al., 1984gas phase; Acid: HNCS
Quantity Value Units Method Reference Comment
Deltar<317.6 ± 1.4kcal/molH-TSBradforth, Kim, et al., 1993gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol
Deltar320.9 ± 5.0kcal/molIMRBBierbaum, Grabowski, et al., 1984gas phase; Acid: HNCS

References

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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]

Page, 1972
Page, F.M., Experimental determination of the electron affinities of inorganic radicals, Adv. Chem. Ser., 1972, 36, 68. [all data]

Napper and Page, 1963
Napper, R.; Page, F.M., Determination of Electron Affinities. Part 5. Cyanide and Thiocyanate Radicals, Trans. Farad. Soc., 1963, 59, 1086, https://doi.org/10.1039/tf9635901086 . [all data]

Bierbaum, Grabowski, et al., 1984
Bierbaum, V.M.; Grabowski, J.J.; DePuy, C.H., Gas-phase synthesis and reactions of nitrogen- and sulfur-containing anions, J. Phys. Chem., 1984, 88, 1389. [all data]


Notes

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