1,2-Propadiene-1,3-dione

Formula: C₃O₂
Molecular weight: 68.0309
IUPAC Standard InChI: InChI=1S/C3O2/c4-2-1-3-5
IUPAC Standard InChIKey: GNEVIACKFGQMHB-UHFFFAOYSA-N
CAS Registry Number: 504-64-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Carbon suboxide; Carbon oxide (C3O2); C3O2
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Gas phase ion energetics data

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.85 ± 0.15	LPES	Oakes and Ellison, 1986	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.605	PE	Rabalais, Bergmark, et al., 1972	LLK
10.60	PE	Baker and Turner, 1968	RDSH
10.60 ± 0.03	PI	Kim and Roebber, 1966	RDSH
10.60	S	Kim and Roebber, 1966	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	18.7 ± 0.3	2CO	EI	Botter, 1963	RDSH
CO⁺	20.1 ± 0.3	?	EI	Botter, 1963	RDSH
C₂⁺	24.5 ± 0.7	?	EI	Botter, 1963	RDSH
C₂O⁺	14.7 ± 0.1	CO	EI	Chen and Holmes, 1994	LL
C₂O⁺	14.48 ± 0.05	CO	EI	Chen and Holmes, 1994	LL
C₂O⁺	15. ± 0.	CO	EI	Botter, 1963	RDSH
C₂O₂⁺	15.8	?	EI	Botter, 1963	RDSH
C₃⁺	29.8 ± 0.4	?	EI	Botter, 1963	RDSH
C₃O⁺	15.9 ± 0.3	O	EI	Botter, 1963	RDSH
O⁺	25.8 ± 0.5	?	EI	Botter, 1963	RDSH

References

Go To: Top, Gas phase ion energetics data, Notes

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

Rabalais, Bergmark, et al., 1972
Rabalais, J.W.; Bergmark, T.; Werme, L.O.; Karlson, L.; Hussain, M.; Siebahn, K., The high-resolution electron spectrum of carbon suboxide in Electron Spectroscopy, ed. D.A. Shirley (North-Holland Pub. Co., Amsterdam), 1972, 425. [all data]

Baker and Turner, 1968
Baker, C.; Turner, D.W., The photoelectron spectrum and ionisation potentials of carbon suboxide, Chem. Commun., 1968, 400. [all data]

Kim and Roebber, 1966
Kim, H.H.; Roebber, J.L., Vacuum-ultraviolet absorption spectrum of carbon suboxide, J. Chem. Phys., 1966, 44, 1709. [all data]

Botter, 1963
Botter, R., Carbon sub-oxide, Advan. Mass Spectrom., 1963, 2, 540. [all data]

Chen and Holmes, 1994
Chen, H.; Holmes, J.L., The generation of OC₂O⁺ and OC₂O and a study of ionized OC₃O and C₂O by tandem mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1994, 133, 111. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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