HCðC anion
- Formula: C2H-
- Molecular weight: 25.0299
- CAS Registry Number: 29075-95-4
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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
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 |
By formula: (C2H- • 4294967295C2) + C2 = C2H-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 162.0 ± 3.8 | kcal/mol | N/A | Zhou, Garand, et al., 2007 | gas phase; B |
ΔrH° | 127.8 ± 3.9 | kcal/mol | Ther | Ruscic and Berkowitz, 1990 | gas phase; 376.7 0K; corrected with data from Gurvich, Veyts, et al.; B |
ΔrH° | 168.0 ± 2.7 | kcal/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
C2H- + = C3H5O-
By formula: C2H- + CH4O = C3H5O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.6 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.90 | kcal/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 11.6 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
C2H- + = C3H2D5-
By formula: C2H- + CD4O = C3H2D5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.8 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B |
C2H- + = C3H2F3-
By formula: C2H- + CHF3 = C3H2F3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B |
By formula: C2H- + H2O = (C2H- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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
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 |
Vibrational and/or electronic energy levels
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: Marilyn E. Jacox
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 23946 ± 10 | gas | Ervin and Lineberger, 1991 | |||||
Taylor, Xu, et al., 1998 | |||||||
Zhou, Garand, et al., 2007 | |||||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CH stretch | 3318.5 | Ar | IR | Andrews, Kushto, et al., 1999 | |
Π | 2 | Bend | 505 ± 20 | gas | PE | Ervin and Lineberger, 1991 | |
Σ+ | 3 | CC stretch | 1800 ± 20 | gas | PE | Ervin and Lineberger, 1991 | |
3 | CC stretch | 1773.0 | Ne | IR | Forney, Jacox, et al., 1992 Andrews, Kushto, et al., 1999 | ||
3 | CC stretch | 1770.5 | Ar | IR | Andrews, Kushto, et al., 1999 | ||
Additional references: Jacox, 1994, page 37; Jacox, 2003, page 32; Brunken, Gottlieb, et al., 2007
Notes
d | Photodissociation threshold |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Ruscic and Berkowitz, 1990
Ruscic, B.; Berkowitz, J.,
Photoion-pair Formation and Photoelectron-induced Dissociative Attachment in C2H2: D0(HCC-H),
J. Chem. Phys., 1990, 93, 8, 5586, https://doi.org/10.1063/1.459629
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Chabinyc and Brauman, 1999
Chabinyc, M.L.; Brauman, J.I.,
Hydrogen bond strength and acidity. Structural and energetic correlations for acetylides and alcohols,
J. Phys. Chem. A, 1999, 103, 46, 9163-9166, https://doi.org/10.1021/jp992852v
. [all data]
Mustanir, Matsuoka, et al., 2006
Mustanir; Matsuoka, M.; Mishima, M.; Koch, H.,
Stability of complexes of phenylacetylides and benzyl alkoxides with methanol in the gas phase. Acid-base correlation in the ionic hydrogen-bond strength,
Bull. Chem. Soc. Japan, 2006, 79, 7, 1118-1125, https://doi.org/10.1246/bcsj.79.1118
. [all data]
Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I.,
Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform,
J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z
. [all data]
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]
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.; Neumark, D.M.,
Photoelectron spectra of the C[sub 2n]H[sup -] (n=1--4) and C[sub 2n]D[sup -] (n=1--3) anions,
J. Chem. Phys., 1998, 108, 24, 10018, https://doi.org/10.1063/1.476462
. [all data]
Andrews, Kushto, et al., 1999
Andrews, L.; Kushto, G.P.; Zhou, M.; Willson, S.P.; Souter, P.F.,
Infrared spectrum of CCH[sup +] in solid argon and neon,
J. Chem. Phys., 1999, 110, 9, 4457, https://doi.org/10.1063/1.478329
. [all data]
Forney, Jacox, et al., 1992
Forney, D.; Jacox, M.E.; Thompson, W.E.,
The vibrational spectra of molecular ions isolated in solid neon: HCCH+ and HCC-,
J. Mol. Spectrosc., 1992, 153, 1-2, 680, https://doi.org/10.1016/0022-2852(92)90502-F
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Brunken, Gottlieb, et al., 2007
Brunken, S.; Gottlieb, C.A.; Gupta, H.; McCarthy, M.C.; Thaddeus, P.,
Laboratory detection of the negative molecular ion CCH,
Astron. Astrophys., 2007, 464, 3, L33, https://doi.org/10.1051/0004-6361:20066964
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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