Dicarbon


Gas phase 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.

Quantity Value Units Method Reference Comment
Δfgas200.22kcal/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar47.655cal/mol*KReviewChase, 1998Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 700.700. to 6000.
A 29.615017.290651
B -83.175601.301581
C 115.9410-0.203961
D -55.640390.015689
E -0.2964380.194730
F 193.1830198.7520
G 101.963057.45791
H 200.2240200.2240
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

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

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- • 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

(Carbon cation • 2carbon) + Dicarbon = (Carbon cation • Dicarbon • 2carbon)

By formula: (C+ • 2C) + C2 = (C+ • C2 • 2C)

Quantity Value Units Method Reference Comment
Δr178.kcal/molMIKESRadi, Rincon, et al., 1989gas phase; M

C62+ + Dicarbon = (C62+ • Dicarbon)

By formula: C62+ + C2 = (C62+ • C2)

Quantity Value Units Method Reference Comment
Δr69. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

C58+ + Dicarbon = (C58+ • Dicarbon)

By formula: C58+ + C2 = (C58+ • C2)

Quantity Value Units Method Reference Comment
Δr104. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

C60+ + Dicarbon = (C60+ • Dicarbon)

By formula: C60+ + C2 = (C60+ • C2)

Quantity Value Units Method Reference Comment
Δr106. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.4 ± 0.3eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
3.2730 ± 0.0080LPESArnold, Bradforth, et al., 1991B
3.265 ± 0.022LPESErvin, Gronert, et al., 1990B
3.391 ± 0.017LPDJones, Mead, et al., 1980B
3.30 ± 0.10LPESYang, Taylor, et al., 1989EA given is Vertical Detachment Energy. probably linear structure.; B
3.540 ± 0.050PDFeldman, 1970B
3.30 ± 0.20EIAELocht and Momigny, 1970From C2H2, C2H4; B
>2.89998EIAETrepka and Neuert, 1963From C2H4; B
>2.90 ± 0.50EIAEThynne and MacNiel, 1971From C2H4; B
4.0 ± 1.0EIAEHonig, 1954From graphite; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.41 ± 0.30CIELReid, Ballantine, et al., 1995LL
11.92 ± 0.09DERPlessis and Marmet, 1986LBLHLM
12.15DERHuber and Herzberg, 1979LLK
11.1 ± 0.5EIGupta and Gingerich, 1979LLK
10.9 ± 0.4EICocke and Gingerich, 1974LLK
11.1 ± 1.0EICocke and Gingerich, 1972LLK
12.0 ± 0.6EIDrowart, Burns, et al., 1959RDSH
13.EIField, Franklin, et al., 1957RDSH

Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

(Carbon cation • 2carbon) + Dicarbon = (Carbon cation • Dicarbon • 2carbon)

By formula: (C+ • 2C) + C2 = (C+ • C2 • 2C)

Quantity Value Units Method Reference Comment
Δr178.kcal/molMIKESRadi, Rincon, et al., 1989gas phase; M

(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

C58+ + Dicarbon = (C58+ • Dicarbon)

By formula: C58+ + C2 = (C58+ • C2)

Quantity Value Units Method Reference Comment
Δr104. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

C60+ + Dicarbon = (C60+ • Dicarbon)

By formula: C60+ + C2 = (C60+ • C2)

Quantity Value Units Method Reference Comment
Δr106. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

C62+ + Dicarbon = (C62+ • Dicarbon)

By formula: C62+ + C2 = (C62+ • C2)

Quantity Value Units Method Reference Comment
Δr69. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

References

Go To: Top, Gas phase thermochemistry data, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

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]

Radi, Rincon, et al., 1989
Radi, P.P.; Rincon, M.E.; Hsu, M.T.; Brodbelt-Lustig, J.; Kemper, P.; Bowers, M.T., Structure, Reactivity and Energetics of Covalently Bound Carbon Cluster Ions, C5+ to C11+: Experiment and Theory, J. Phys. Chem., 1989, 93, 16, 6187, https://doi.org/10.1021/j100353a045 . [all data]

Radi, Hsu, et al., 1990
Radi, P.R.; Hsu, M.T.; Rincon, M.E.; Kemper, P.R.; Bowers, M.T., On the Structure, Reactivity and Relative Stability of the Large Carbon Cluster Ions C62+, C60+ and C58+, Chem. Phys. Lett., 1990, 174, 3-4, 223, https://doi.org/10.1016/0009-2614(90)85336-B . [all data]

Arnold, Bradforth, et al., 1991
Arnold, D.W.; Bradforth, S.E.; Kitsopoulos, T.N.; Neumark, D.M., Vibrationally Resolved Spectra of C2-C11 by Anion Photoelectron Spectroscopy, J. Chem. Phys., 1991, 95, 12, 8753, https://doi.org/10.1063/1.461211 . [all data]

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]

Jones, Mead, et al., 1980
Jones, P.L.; Mead, R.D.; Kohler, B.E.; Rosner, S.D.; Lineberger, W.C., Photodetachment spectroscopy of C2- autodetaching resonances, J. Chem. Phys., 1980, 73, 4419. [all data]

Yang, Taylor, et al., 1989
Yang, S.; Taylor, K.J.; Craycraft, M.J.; Conceicao, J.; Pettiette, C.L.; Cherhnovsky, O.; Smalley, R.E., UPS of 2-30 Atom Carbon Clusters: Chains and Rings, Chem. Phys. Lett., 1989, 144, 5-6, 431, https://doi.org/10.1016/0009-2614(88)87291-9 . [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]

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]

Honig, 1954
Honig, R.E., Mass spectrometric study of the molecular sublimation of graphite, J. Chem. Phys., 1954, 22, 126. [all data]

Reid, Ballantine, et al., 1995
Reid, C.J.; Ballantine, J.A.; Andrews, S.R.; Harris, F.M., Charge inversion of ground-state and metastable-state C2+ cations formed from electroionised C2H2 and C2N2, and a re-evaluation of the carbon dimer's ionisation energy, Chem. Phys., 1995, 190, 113. [all data]

Plessis and Marmet, 1986
Plessis, P.; Marmet, P., Electroionization study of acetylene and fragment ions, Int. J. Mass Spectrom. Ion Processes, 1986, 70, 23. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Gupta and Gingerich, 1979
Gupta, S.K.; Gingerich, K.A., Observation and atomization energies of the gaseous uranium carbides, UC, UC2, UC3, UC4, UC5, and UC6 by high temperature mass spectrometry, J. Chem. Phys., 1979, 71, 3072. [all data]

Cocke and Gingerich, 1974
Cocke, D.L.; Gingerich, K.A., Thermodynamic investigation of the gaseous molecules TiRh, Rh2, and Ti2Rh by mass spectrometry, J. Chem. Phys., 1974, 60, 1958. [all data]

Cocke and Gingerich, 1972
Cocke, D.L.; Gingerich, K.A., Mass spectrometric determination of the bond dissociation energies of the molecules CePd and CeC2, J. Phys. Chem., 1972, 76, 2332. [all data]

Drowart, Burns, et al., 1959
Drowart, J.; Burns, R.P.; DeMaria, G.; Inghram, M.G., Mass spectrometric study of carbon vapor, J. Chem. Phys., 1959, 31, 1131. [all data]

Field, Franklin, et al., 1957
Field, F.H.; Franklin, J.L.; Lampe, F.W., Reactions of gaseous ions. II. Acetylene, J. Am. Chem. Soc., 1957, 79, 2665. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References