CCCO
- Formula: C3O
- Molecular weight: 52.0315
- CAS Registry Number: 11127-17-6
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, 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:
B - John E. Bartmess
View reactions leading to C3O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 880.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 847.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.2370 ± 0.0030 | N/A | Garand, Yacovitch, et al., 2009 | B |
1.34 ± 0.15 | LPES | Oakes and Ellison, 1986 | Large geometry change on detachment, Calculations ( Rienstra-Kiracofe, Ellison, et al., 2000) imply EA is upper limit; B |
Vibrational and/or electronic energy levels
Go To: Top, 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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | 2257.22 | gas | IR | McNaughton, McGilvery, et al., 1991 | ||
1 | 2243 | vs | Ar | IR | DeKock and Weltner, 1971 Brown, Pullin, et al., 1985 Ortman, Hauge, et al., 1990 Botschwina and Reisenauer, 1991 Dibben, Szczepanski, et al., 2000 | ||
1 | 2237.2 | Xe | IR | Maier and Lautz | |||
2 | 1907.0 | m | Ar | IR | Brown, Pullin, et al., 1985 Botschwina and Reisenauer, 1991 | ||
2 | 1904.4 | Xe | IR | Maier and Lautz | |||
2 | Sym. stretch | 935 ± 8 | gas | PE | Garand, Yacovitch, et al., 2009 | ||
3 | Sym. stretch | 939.1 | w | Ar | IR | Botschwina and Reisenauer, 1991 | |
Π | 4 | CCO bend | 581 ± 8 | gas | PE | Garand, Yacovitch, et al., 2009 | |
4 | CCO bend | 580 | m | Ar | IR | Brown, Pullin, et al., 1985 Botschwina and Reisenauer, 1991 | |
4 | CCO bend | 571.9 | Xe | IR | Maier and Lautz | ||
5 | C3 bend | 109 ± 8 | gas | PE | Garand, Yacovitch, et al., 2009 | ||
Additional references: Jacox, 1994, page 186; Jacox, 2003, page 223; Brown, Eastwood, et al., 1983; Tang, Inokuchi, et al., 1985; Brown, Godfrey, et al., 1985; Bizzocchi, Degli Esposti, et al., 2008
Notes
w | Weak |
m | Medium |
vs | Very strong |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
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]
Garand, Yacovitch, et al., 2009
Garand, E.; Yacovitch, T.I.; Neumark, D.M.,
Slow photoelectron velocity-map imaging spectroscopy of C3O- and C3S-,
J. Chem. Phys., 2009, 131, 5, 054312, https://doi.org/10.1063/1.3200927
. [all data]
Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B.,
Photoelectron spectroscopy of radical anions,
Tetrahedron, 1986, 42, 6263. [all data]
Rienstra-Kiracofe, Ellison, et al., 2000
Rienstra-Kiracofe, J.C.; Ellison, G.B.; Hoffman, B.C.; Schaefer III, H.F.,
The Electron Affinities of C3O and C4O,
J. Phys. Chem. A, 2000, 104, 11, 2273, https://doi.org/10.1021/jp9918104
. [all data]
McNaughton, McGilvery, et al., 1991
McNaughton, D.; McGilvery, D.; Shanks, F.,
High resolution FTIR analysis of the ν1 band of tricarbon monoxide: Production of tricarbon monoxide and chloroacetylenes by pyrolysis of fumaroyl dichloride,
J. Mol. Spectrosc., 1991, 149, 2, 458, https://doi.org/10.1016/0022-2852(91)90301-P
. [all data]
DeKock and Weltner, 1971
DeKock, R.L.; Weltner, W., Jr.,
C2O, CN2, and C3O molecules,
J. Am. Chem. Soc., 1971, 93, 25, 7106, https://doi.org/10.1021/ja00754a081
. [all data]
Brown, Pullin, et al., 1985
Brown, R.D.; Pullin, D.E.; Rice, E.H.N.; Rodler, M.,
The infrared spectrum and force field of tricarbon monoxide,
J. Am. Chem. Soc., 1985, 107, 26, 7877, https://doi.org/10.1021/ja00312a013
. [all data]
Ortman, Hauge, et al., 1990
Ortman, B.J.; Hauge, R.H.; Margrave, J.L.; Kafafi, Z.H.,
Reactions of small carbon clusters with water in cryogenic matrixes: the FTIR spectrum of hydroxyethynyl carbene,
J. Phys. Chem., 1990, 94, 20, 7973, https://doi.org/10.1021/j100383a041
. [all data]
Botschwina and Reisenauer, 1991
Botschwina, P.; Reisenauer, H.P.,
C3O: ab initio calculations and matrix IR spectra,
Chem. Phys. Lett., 1991, 183, 3-4, 217, https://doi.org/10.1016/0009-2614(91)80053-Z
. [all data]
Dibben, Szczepanski, et al., 2000
Dibben, M.; Szczepanski, J.; Wehlburg, C.; Vala, M.,
Complexes of Linear Carbon Clusters with Water,
J. Phys. Chem. A, 2000, 104, 16, 3584, https://doi.org/10.1021/jp9936906
. [all data]
Maier and Lautz
Maier, G.; Lautz, C.,
Eur. J. Org. Chem. 1998, 769.. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Brown, Eastwood, et al., 1983
Brown, R.D.; Eastwood, F.W.; Elmes, P.S.; Godfrey, P.D.,
Tricarbon monoxide,
J. Am. Chem. Soc., 1983, 105, 21, 6496, https://doi.org/10.1021/ja00359a026
. [all data]
Tang, Inokuchi, et al., 1985
Tang, T.B.; Inokuchi, H.; Saito, S.; Yamada, C.; Hirota, E.,
CCCO: Generation by dc glow discharge in carbon suboxide, and microwave spectrum,
Chem. Phys. Lett., 1985, 116, 1, 83, https://doi.org/10.1016/0009-2614(85)80130-5
. [all data]
Brown, Godfrey, et al., 1985
Brown, R.D.; Godfrey, P.D.; Elmes, P.S.; Rodler, M.; Tack, L.M.,
The microwave spectrum and structure of tricarbon monoxide,
J. Am. Chem. Soc., 1985, 107, 14, 4112, https://doi.org/10.1021/ja00300a002
. [all data]
Bizzocchi, Degli Esposti, et al., 2008
Bizzocchi, L.; Degli Esposti, C.; Dore, L.,
Accurate rest frequencies for the submillimetre-wave lines of C,
Astron. Astrophys., 2008, 492, 3, 875, https://doi.org/10.1051/0004-6361:200810589
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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