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Carbon


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
Deltafgas234.00kcal/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar57.832cal/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. - 1200.1200. - 6000.
A 10.2934025.75901
B 26.528010.568799
C -17.51190-0.110989
D 4.3637700.007474
E -0.191398-2.872111
F 229.2560219.3890
G 62.0423079.42280
H 234.0000234.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

Gas phase ion energetics 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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C5+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
2.853871 ± 0.000062N/AHock, Kim, et al., 2012B
2.840 ± 0.030LPESWang, Averkiev, et al., 2010Stated electron affinity is the Vertical Detachment Energy; B
2.8390 ± 0.0080LPESArnold, Bradforth, et al., 1991Linear structure for both neutral and anion; B
2.8530 ± 0.0010LPDKitsopoulos, Chick, et al., 1991B
2.80 ± 0.10LPESYang, Taylor, et al., 1989EA given is Vertical Detachment Energy. probably linear structure.; B
<2.33 ± 0.10LPDVager, Feldman, et al., 1991Cyclic isomer, by Coulomb explosion, Zhao, de Beer, et al., 1996 claims hot ions are the source.; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.3 ± 0.1PERamathan, Zimmerman, et al., 1993LL
12.7 ± 0.5EIDibeler, Reese, et al., 1961RDSH
13. ± 1.EIDrowart, Burns, et al., 1959RDSH

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]

Hock, Kim, et al., 2012
Hock, C.; Kim, J.B.; Weichman, M.L.; Yacovitch, T.I.; Neumark, D.M., Slow photoelectron velocity-map imaging spectroscopy of cold negative ions, J. Chem. Phys., 2012, 137, 24, 244201, https://doi.org/10.1063/1.4772406 . [all data]

Wang, Averkiev, et al., 2010
Wang, L.M.; Averkiev, B.B.; Ramilowski, J.A.; Huang, W.; Wang, L.S.; Boldyrev, A.I., Planar to Linear Structural Transition in Small Boron-Carbon Mixed Clusters: CxB5-x- (x=1-5), J. Am. Chem. Soc., 2010, 132, 40, 14104-14112, https://doi.org/10.1021/ja103846q . [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]

Kitsopoulos, Chick, et al., 1991
Kitsopoulos, T.N.; Chick, C.J.; Zhao, Y.; Neumark, D.M., Threshold Photodetachment Spectroscopy of C-5(-), J. Chem. Phys., 1991, 95, 7, 5479, https://doi.org/10.1063/1.461664 . [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]

Vager, Feldman, et al., 1991
Vager, Z.; Feldman, H.; Kella, D.; Malkin, E.; Miklazky, E.; Zajfman, J.; Naaman, R., The Structure of Small Carbon Clusters, Z. Phys. D, 1991, 19, 1-4, 413, https://doi.org/10.1007/BF01448341 . [all data]

Zhao, de Beer, et al., 1996
Zhao, Y.; de Beer, E.; Xu, C.; Taylor, T.; Neumark, D.M., Spectroscopy and Electron Detachment Dynamics of C4-, C6- and C8-, J. Chem. Phys., 1996, 105, 12, 4905, https://doi.org/10.1063/1.472341 . [all data]

Ramathan, Zimmerman, et al., 1993
Ramathan, R.; Zimmerman, J.A.; Eyler, J.R., Ionization potentials of small carbon clusters, J. Chem. Phys., 1993, 98, 7838. [all data]

Dibeler, Reese, et al., 1961
Dibeler, V.H.; Reese, R.M.; Franklin, J.L., Mass spectrometric study of cyanogen and cyanoacetylenes, J. Am. Chem. Soc., 1961, 83, 1813. [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]


Notes

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