[2H3]acetonitrile
- Formula: C2D3N
- Molecular weight: 44.0704
- CAS Registry Number: 2206-26-0
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
( • 2C2D3N) + C2D3N = ( • 3C2D3N)
By formula: (C5H5- • 2C2D3N) + C2D3N = (C5H5- • 3C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 232. | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
( • C2D3N) + C2D3N = ( • 2C2D3N)
By formula: (C5H5- • C2D3N) + C2D3N = (C5H5- • 2C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; CD3CN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; CD3CN |
By formula: C5H5- + C2D3N = (C5H5- • C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering 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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.01101 | EFD | Suess, Liu, et al., 2003 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.14 | PE | Lake and Thompson, 1970 | RDSH |
15.17 | PE | Lake and Thompson, 1970 | RDSH |
12.29 ± 0.05 | EI | Franklin, Wada, et al., 1966 | RDSH |
12.23 | PE | Lake and Thompson, 1970 | Vertical value; RDSH |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C5H5- + C2D3N = (C5H5- • C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase |
( • C2D3N) + C2D3N = ( • 2C2D3N)
By formula: (C5H5- • C2D3N) + C2D3N = (C5H5- • 2C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; CD3CN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; CD3CN |
( • 2C2D3N) + C2D3N = ( • 3C2D3N)
By formula: (C5H5- • 2C2D3N) + C2D3N = (C5H5- • 3C2D3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 232. | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meot-ner, 1988
Meot-ner, M.,
The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules,
J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022
. [all data]
Suess, Liu, et al., 2003
Suess, L.; Liu, Y.; Parthasarathy, R.; Dunning, F.B.,
Dipole-bound negative ions: Collisional destruction and blackbody-radiation-induced photodetachment,
J. Chem. Phys., 2003, 119, 24, 12890-12894, https://doi.org/10.1063/1.1628215
. [all data]
Lake and Thompson, 1970
Lake, R.F.; Thompson, H.,
The photoelectron spectra of some molecules containing the C N group,
Proc. Roy. Soc. (London), 1970, A317, 187. [all data]
Franklin, Wada, et al., 1966
Franklin, J.L.; Wada, Y.; Natalis, P.; Hierl, P.M.,
Ion-molecule reactions in acetonitrile and propionitrile,
J. Phys. Chem., 1966, 70, 2353. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EA Electron affinity T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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