Dicarbon


Gas phase thermochemistry 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.

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

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

Go To: Top, Gas phase 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 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

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References