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Gas phase ion energetics 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 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)767.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity736.3kJ/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


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]


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