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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
Deltafgas200.22kcal/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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Temperature (K) 298. - 700.700. - 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

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Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Deltar162.0 ± 3.8kcal/molN/AZhou, Garand, et al., 2007gas phase; B
Deltar127.8 ± 3.9kcal/molTherRuscic and Berkowitz, 1990gas phase; 376.7 0K; corrected with data from Gurvich, Veyts, et al.; B
Deltar168.0 ± 2.7kcal/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

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

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

Quantity Value Units Method Reference Comment
Deltar178.kcal/molMIKESRadi, Rincon, et al., 1989gas phase; M

C62+ + Dicarbon = (C62+ bullet Dicarbon)

By formula: C62+ + C2 = (C62+ bullet C2)

Quantity Value Units Method Reference Comment
Deltar69. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

C58+ + Dicarbon = (C58+ bullet Dicarbon)

By formula: C58+ + C2 = (C58+ bullet C2)

Quantity Value Units Method Reference Comment
Deltar104. ± 12.kcal/molMIKESRadi, Hsu, et al., 1990gas phase; M

C60+ + Dicarbon = (C60+ bullet Dicarbon)

By formula: C60+ + C2 = (C60+ bullet C2)

Quantity Value Units Method Reference Comment
Deltar106. ± 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

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