HCðC anion


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

C2H- + Hydrogen cation = Acetylene

By formula: C2H- + H+ = C2H2

Quantity Value Units Method Reference Comment
Δr379. ± 5.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr370. ± 5.kcal/molAVGN/AAverage of 7 values; Individual data points

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

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

Quantity Value Units Method Reference Comment
Δr162.0 ± 3.8kcal/molN/AZhou, Garand, et al., 2007gas phase; B
Δr127.8 ± 3.9kcal/molTherRuscic and Berkowitz, 1990gas phase; 376.7 0K; corrected with data from Gurvich, Veyts, et al.; B
Δr168.0 ± 2.7kcal/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
Δr21.6 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B
Quantity Value Units Method Reference Comment
Δr10.90kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr11.6 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B

C2H- + Methanol-D4 = C3H2D5-

By formula: C2H- + CD4O = C3H2D5-

Quantity Value Units Method Reference Comment
Δr21.4 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Δr12.8 ± 1.0kcal/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
Δr19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Δr10.7 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B

C2H- + Water = (C2H- • Water)

By formula: C2H- + H2O = (C2H- • H2O)

Quantity Value Units Method Reference Comment
Δr16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

Vibrational and/or electronic energy levels

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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: 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

dPhotodissociation threshold

References

Go To: Top, Reaction thermochemistry 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

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