Tricarbon
- Formula: C3
- Molecular weight: 36.0321
- IUPAC Standard InChIKey: NVLRFXKSQQPKAD-UHFFFAOYSA-N
- CAS Registry Number: 12075-35-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Carbon trimer
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 196.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 56.709 | cal/mol*K | Review | Chase, 1998 | Data 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. to 1000. | 1000. to 6000. |
---|---|---|
A | 6.293892 | 10.49200 |
B | 4.844240 | 1.312430 |
C | 0.666549 | -0.195746 |
D | -1.206781 | 0.011639 |
E | 0.111612 | -0.927304 |
F | 194.2810 | 190.7920 |
G | 63.48901 | 66.52651 |
H | 196.0000 | 196.0000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 compiled by: 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
By formula: (C+ • 6C) + C3 = (C+ • C3 • 6C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166. ± 23. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 7C) + C3 = (C+ • C3 • 7C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 173. ± 23. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 2C) + C3 = (C+ • C3 • 2C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 127. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 3C) + C3 = (C+ • C3 • 3C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 4C) + C3 = (C+ • C3 • 4C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 5C) + C3 = (C+ • C3 • 5C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 122. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
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:
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) | 183.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 176.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.995 ± 0.025 | LPES | Arnold, Bradforth, et al., 1991 | Linear structure for both neutral and anion; B |
1.981 ± 0.020 | LPES | Oakes and Ellison, 1986 | From propene discharge; geometry unspecified. Liekly linear/bent form ( Sheehan, Parsons, et al., 2008); B |
1.95 ± 0.10 | LPES | Yang, Taylor, et al., 1989 | EA given is Vertical Detachment Energy. probably linear structure.; B |
2.5 ± 1.0 | EIAE | Honig, 1954 | From graphite; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.0 ± 0.1 | PE | Ramathan, Zimmerman, et al., 1993 | LL |
11.1 ± 0.5 | EI | Gupta and Gingerich, 1979 | LLK |
12.1 ± 0.2 | EI | Wyatt and Stafford, 1972 | LLK |
12.1 ± 0.3 | EI | Kohl and Stearns, 1970 | RDSH |
12.6 ± 0.6 | EI | Drowart, Burns, et al., 1959 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 by: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: (C+ • 2C) + C3 = (C+ • C3 • 2C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 127. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 3C) + C3 = (C+ • C3 • 3C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 4C) + C3 = (C+ • C3 • 4C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 5C) + C3 = (C+ • C3 • 5C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 122. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 6C) + C3 = (C+ • C3 • 6C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166. ± 23. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
By formula: (C+ • 7C) + C3 = (C+ • C3 • 7C)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 173. ± 23. | kcal/mol | MIKES | Radi, Rincon, et al., 1989 | gas phase |
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]
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]
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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