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HCðC anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
B - John E. Bartmess
M - 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

C2H- + Hydrogen cation = Acetylene

By formula: C2H- + H+ = C2H2

Quantity Value Units Method Reference Comment
Deltar1580. ± 20.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar1550. ± 20.kJ/molAVGN/AAverage of 7 values; Individual data points

(C2H- bullet 4294967295Dicarbon) + Dicarbon = C2H-

By formula: (C2H- bullet 4294967295C2) + C2 = C2H-

Quantity Value Units Method Reference Comment
Deltar678. ± 16.kJ/molN/AZhou, Garand, et al., 2007gas phase; B
Deltar535. ± 16.kJ/molTherRuscic and Berkowitz, 1990gas phase; 376.7 0K; corrected with data from Gurvich, Veyts, et al.; B
Deltar703. ± 11.kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

C2H- + Methyl Alcohol = C3H5O-

By formula: C2H- + CH4O = C3H5O-

Quantity Value Units Method Reference Comment
Deltar90.4 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2; B
Quantity Value Units Method Reference Comment
Deltar45.61kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Deltar48.5 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2; B

C2H- + Methanol-D4 = C3H2D5-

By formula: C2H- + CD4O = C3H2D5-

Quantity Value Units Method Reference Comment
Deltar89.5 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar53.6 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B

C2H- + Fluoroform = C3H2F3-

By formula: C2H- + CHF3 = C3H2F3-

Quantity Value Units Method Reference Comment
Deltar80.8 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar44.8 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B

C2H- + Water = (C2H- bullet Water)

By formula: C2H- + H2O = (C2H- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar67.8 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar77.8J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar44.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering 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

C2H- + Hydrogen cation = Acetylene

By formula: C2H- + H+ = C2H2

Quantity Value Units Method Reference Comment
Deltar1580. ± 20.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar1550. ± 20.kJ/molAVGN/AAverage of 7 values; Individual data points

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess
M - 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

C2H- + Methanol-D4 = C3H2D5-

By formula: C2H- + CD4O = C3H2D5-

Quantity Value Units Method Reference Comment
Deltar89.5 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar53.6 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B

C2H- + Fluoroform = C3H2F3-

By formula: C2H- + CHF3 = C3H2F3-

Quantity Value Units Method Reference Comment
Deltar80.8 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar44.8 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B

C2H- + Methyl Alcohol = C3H5O-

By formula: C2H- + CH4O = C3H5O-

Quantity Value Units Method Reference Comment
Deltar90.4 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2; B
Quantity Value Units Method Reference Comment
Deltar45.61kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Deltar48.5 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2; B

(C2H- bullet 4294967295Dicarbon) + Dicarbon = C2H-

By formula: (C2H- bullet 4294967295C2) + C2 = C2H-

Quantity Value Units Method Reference Comment
Deltar678. ± 16.kJ/molN/AZhou, Garand, et al., 2007gas phase; B
Deltar535. ± 16.kJ/molTherRuscic and Berkowitz, 1990gas phase; 376.7 0K; corrected with data from Gurvich, Veyts, et al.; B
Deltar703. ± 11.kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

C2H- + Water = (C2H- bullet Water)

By formula: C2H- + H2O = (C2H- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar67.8 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar77.8J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar44.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, 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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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

Sigma+ 1 CH stretch 3318.5 Ar IR Andrews, Kushto, et al., 1999
Pi 2 Bend 505 ± 20 gas PE Ervin and Lineberger, 1991
Sigma+ 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

dPhotodissociation threshold

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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, Ion clustering data, Vibrational and/or electronic energy levels, References