CCCO

Formula: C₃O
Molecular weight: 52.0315
CAS Registry Number: 11127-17-6
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Other data available:
- Gas phase ion energetics data
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Vibrational and/or electronic energy levels

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

Weak

Medium

Very strong

References

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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]

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]

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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