Ethynyl radical
- Formula: C2H
- Molecular weight: 25.0293
- IUPAC Standard InChIKey: XEHVFKKSDRMODV-UHFFFAOYSA-N
- CAS Registry Number: 2122-48-7
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, 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: John E. Bartmess
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
(C2H2- • 4294967295) + = C2H2-
By formula: (C2H2- • 4294967295C2H) + C2H = C2H2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.5 ± 3.6 | kcal/mol | N/A | Ervin, Gronert, et al., 1990 | gas phase; Vinylidene neutral: ΔHf<=99±2 kcal, Kiefer, Sidhu, et al., 1989 |
ΔrH° | 44.6 ± 3.3 | kcal/mol | Ther | Guo and Grabowski, 1990 | gas phase; Between PhF, Me3P |
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C2H+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.61 ± 0.07 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 180. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 172.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.9689 ± 0.0011 | N/A | Zhou, Garand, et al., 2007 | B |
2.9690 ± 0.0060 | LPES | Ervin and Lineberger, 1991 | B |
2.956 ± 0.020 | LPES | Taylor, Xu, et al., 1998 | B |
2.94 ± 0.10 | LPD | Janousek, Brauman, et al., 1979 | Adiabatic EA: 3.18±0.25 eV; B |
>2.30 ± 0.70 | EIAE | Thynne and MacNiel, 1971 | From C2H4; B |
3.730 ± 0.050 | PD | Feldman, 1970 | B |
2.10 ± 0.30 | EIAE | Locht and Momigny, 1970 | From C2H2, C2H4; B |
>2.79998 | EIAE | Trepka and Neuert, 1963 | From C2H4; B |
2.64955 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.61 ± 0.07 | DER | Norwood and Ng, 1989 | LL |
11.7 | DER | Lias, Bartmess, et al., 1988 | LL |
11.31 ± 0.13 | DER | Ono and Ng, 1981 | LLK |
11.51 | DER | Ono and Ng, 1981 | Unpublished result of S.I.Miller and J.Berkowitz; LLK |
11.96 ± 0.05 | DER | Okabe and Dibeler, 1973 | LLK |
11.96 ± 0.05 | DER | Dibeler, Walker, et al., 1973 | LLK |
11.6 ± 0.5 | EI | Wyatt and Stafford, 1972 | LLK |
Anion protonation reactions
C2H- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 379. ± 5. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 370. ± 5. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
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.
Ervin, Gronert, et al., 1990
Ervin, K.M.; Gronert, S.; Barlow, S.E.; Gilles, M.K.; Harrison, A.G.; Bierbaum, V.M.; DePuy, C.H.; Lin, W.C.,
Bonds Strengths of Ethylene and Acetylene,
J. Am. Chem. Soc., 1990, 112, 15, 5750, https://doi.org/10.1021/ja00171a013
. [all data]
Kiefer, Sidhu, et al., 1989
Kiefer, J.H.; Sidhu, S.S.; Kumaran, S.S.; Irdan, E.A.,
RRKM Model of C2H4 Dissociation: Heat of Formation of Vinylidene,
Chem. Phys. Lett., 1989, 159, 1, 32, https://doi.org/10.1016/S0009-2614(89)87448-2
. [all data]
Guo and Grabowski, 1990
Guo, Y.; Grabowski, J.J.,
Gas Phase Ion Chemistry of the Vinylidene Radical Anion and the Acidity of the Vinyl Radical,
Int. J. Mass Spectrom. Ion Proc., 1990, 97, 3, 253, https://doi.org/10.1016/0168-1176(90)85003-K
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Zhou, Garand, et al., 2007
Zhou, J.; Garand, E.; Neumark, D.M.,
Vibronic structure in C2H and C2D from anion slow electron velocity-map imaging spectroscopy,
J. Chem. Phys., 2007, 127, 11, 114313, https://doi.org/10.1063/1.2768932
. [all data]
Ervin and Lineberger, 1991
Ervin, K.M.; Lineberger, W.C.,
Photoelectron Spectra of C2- and C2H-,
J. Phys. Chem., 1991, 95, 3, 1167, https://doi.org/10.1021/j100156a026
. [all data]
Taylor, Xu, et al., 1998
Taylor, T.R.; Xu, C.S.; Neumark, D.M.,
Photoelectron spectra of the C2nH- (n=1-4) and C2nD- (n=1-3) anions,
J. Chem. Phys., 1998, 108, 24, 10018-10026, https://doi.org/10.1063/1.476462
. [all data]
Janousek, Brauman, et al., 1979
Janousek, B.K.; Brauman, J.I.; Simons, J.,
An experimental and theoretical determination of the electron affinity of the enhynyl radical HC2,
J. Chem. Phys., 1979, 71, 2057. [all data]
Thynne and MacNiel, 1971
Thynne, J.C.J.; MacNiel, K.A.G.,
Negative ion formation by ethylene and 1,1-difluoroethylene,
J. Phys. Chem., 1971, 75, 2584. [all data]
Feldman, 1970
Feldman, D.,
Photoablosung von Elektronen bei einigen Stabilen Negativen Ionen,
Z. Naturfor., 1970, 25A, 621. [all data]
Locht and Momigny, 1970
Locht, R.; Momigny, J.,
Mass Spectrometric Determination of the Electron Affinities of Radicals,
Chem. Phys. Lett., 1970, 6, 4, 273, https://doi.org/10.1016/0009-2614(70)85072-2
. [all data]
Trepka and Neuert, 1963
Trepka, L.v.; Neuert, H.,
Uber die Entstehenung von Negativen Ionen aus einigen Kohlenwasserstoffen und Alkoholen durch Elektronenstoss,
Z. Naturfor., 1963, 18A, 1295. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Norwood and Ng, 1989
Norwood, K.; Ng, C.Y.,
A state-selected study of the unimolecular decompoisition of C2H2+(A,B) using the photoion photoelectron coincidence method,
J. Chem. Phys., 1989, 91, 2898. [all data]
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Ono and Ng, 1981
Ono, Y.; Ng, C.Y.,
The heat of formation of C2H+,
J. Chem. Phys., 1981, 74, 6985. [all data]
Okabe and Dibeler, 1973
Okabe, H.; Dibeler, V.H.,
Photon impact studies of C2HCN and CH3CN in the vacuum ultraviolet; heats of formation of C2H and CH3CN,
J. Chem. Phys., 1973, 59, 2430. [all data]
Dibeler, Walker, et al., 1973
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Observations on hot bands in the molecular and dissociative photoionization of acetylene and the heat of formation of the ethynyl ion,
J. Chem. Phys., 1973, 59, 2264. [all data]
Wyatt and Stafford, 1972
Wyatt, J.R.; Stafford, F.E.,
Mass spectrometric determination of the heat of formation of ethynyl radical, C2H, and of some related species,
J. Phys. Chem., 1972, 76, 1913. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy 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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