Tricarbon


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
Δfgas196.00kcal/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar56.709cal/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 1000.1000. to 6000.
A 6.29389210.49200
B 4.8442401.312430
C 0.666549-0.195746
D -1.2067810.011639
E 0.111612-0.927304
F 194.2810190.7920
G 63.4890166.52651
H 196.0000196.0000
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 C3+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)183.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity176.0kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.995 ± 0.025LPESArnold, Bradforth, et al., 1991Linear structure for both neutral and anion; B
1.981 ± 0.020LPESOakes and Ellison, 1986From propene discharge; geometry unspecified. Liekly linear/bent form ( Sheehan, Parsons, et al., 2008); B
1.95 ± 0.10LPESYang, Taylor, et al., 1989EA given is Vertical Detachment Energy. probably linear structure.; B
2.5 ± 1.0EIAEHonig, 1954From graphite; B

Ionization energy determinations

IE (eV) Method Reference Comment
13.0 ± 0.1PERamathan, Zimmerman, et al., 1993LL
11.1 ± 0.5EIGupta and Gingerich, 1979LLK
12.1 ± 0.2EIWyatt and Stafford, 1972LLK
12.1 ± 0.3EIKohl and Stearns, 1970RDSH
12.6 ± 0.6EIDrowart, 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B., Photoelectron spectroscopy of radical anions, Tetrahedron, 1986, 42, 6263. [all data]

Sheehan, Parsons, et al., 2008
Sheehan, S.M.; Parsons, B.F.; Zhou, J.; Garand, E.; Yen, T.A.; Moore, D.T.; Neumark, D.M., Characterization of cyclic and linear C3H- and C3H via anion photoelectron spectroscopy, J. Chem. Phys., 2008, 128, 3, 034301, https://doi.org/10.1063/1.2812561 . [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]

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

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]

Wyatt and Stafford, 1972
Wyatt, J.R.; Stafford, F.E., Mass spectrometric determination of the heat of formation of ethynyl radical, C2H, and of some related species, J. Phys. Chem., 1972, 76, 1913. [all data]

Kohl and Stearns, 1970
Kohl, F.J.; Stearns, C.A., Vaporization thermodynamics of yttrium dicarbide-carbon system and dissociation energy of yttrium dicarbide and tetracarbide, J. Chem. Phys., 1970, 52, 6310. [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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