NCS anion
- Formula: CNS-
- Molecular weight: 58.083
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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
CNS- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <325.3 ± 1.1 | kcal/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol |
| ΔrH° | 328.6 ± 5.1 | kcal/mol | G+TS | Bierbaum, Grabowski, et al., 1984 | gas phase; Acid: HNCS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <317.6 ± 1.4 | kcal/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol |
| ΔrG° | 320.9 ± 5.0 | kcal/mol | IMRB | Bierbaum, Grabowski, et al., 1984 | gas phase; Acid: HNCS |
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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.5370 ± 0.0050 | LPES | Bradforth, Kim, et al., 1993 | Acid HNCS. HSCN up by ca. 8 kcal/mol |
| 1.99475 | SI | Page, 1972 | The Magnetron method, lacking mass analysis, is not considered reliable. |
| 2.147 ± 0.022 | SI | Napper and Page, 1963 | From (SCN)2 The Magnetron method, lacking mass analysis, is not considered reliable. |
Protonation reactions
CNS- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <325.3 ± 1.1 | kcal/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol |
| ΔrH° | 328.6 ± 5.1 | kcal/mol | G+TS | Bierbaum, Grabowski, et al., 1984 | gas phase; Acid: HNCS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <317.6 ± 1.4 | kcal/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol |
| ΔrG° | 320.9 ± 5.0 | kcal/mol | IMRB | Bierbaum, Grabowski, et al., 1984 | gas phase; Acid: HNCS |
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]
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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