FCO2

Formula: CFO₂
Molecular weight: 63.0079
CAS Registry Number: 89831-20-9
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Vibrational and/or electronic energy levels

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State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 13150	gas	B-X	500	795	Maricq, Szente, et al., 1993
					Maricq, Szente, et al., 1993, 2
T_o = 13103 ± 5	Ne	B-X	508	763	Arguello, Grothe, et al., 1995

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	OCO s-stretch	1607 ± 10	Ne	AB	Arguello, Grothe, et al., 1995
	2	CF stretch	1110	gas	AB	Maricq, Szente, et al., 1993
	2	CF stretch	1119 ± 5	Ne	AB	Arguello, Grothe, et al., 1995
	3	OCO bend	610	gas	AB	Maricq, Szente, et al., 1993
	3	OCO bend	614 ± 5	Ne	AB	Arguello, Grothe, et al., 1995
b₁	4	OPLA	840	gas	AB	Maricq, Szente, et al., 1993
	4	OPLA	838 ± 5	Ne	AB	Arguello, Grothe, et al., 1995
b₂	5	OCO a-stretch	2820	gas	AB	Maricq, Szente, et al., 1993

State: A

Energy (cm^-1)	Med.	References


T_o = 4670 ± 40	gas	Arnold, Bradforth, et al., 1995

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	OCO s-stretch	1274 ± 40	gas	PE	Arnold, Bradforth, et al., 1995
	2	OCO bend	903 ± 40	gas	PE	Arnold, Bradforth, et al., 1995
	3	CF stretch	532 ± 40	gas	PE	Arnold, Bradforth, et al., 1995

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a₁	1	OCO s-stretch	1478		gas	PE IR	Arnold, Bradforth, et al., 1995 Zelinger, 2003 Perrin, Strizik, et al., 2010
	1	OCO s-stretch	1475	T vs	Ne	IR	Arguello, Grothe, et al., 1995
	2	OCO bend	970.21		gas	PE IR	Arnold, Bradforth, et al., 1995 Zelinger, 2003 Perrin, Strizik, et al., 2010
	2	OCO bend	968.9	m	Ne	IR	Arguello, Grothe, et al., 1995
	2	OCO bend	975.1		Ar	IR	Arguello, Grothe, et al., 1995
	2	OCO bend	975.5		N₂	IR	Arguello, Grothe, et al., 1995
	3	CF stretch	520		gas	AB PE	Maricq, Szente, et al., 1993 Arnold, Bradforth, et al., 1995
	3	CF stretch	518.5	w m	Ne	IR	Arguello, Grothe, et al., 1995
	3	CF stretch	521.6		Ar	IR	Arguello, Grothe, et al., 1995
	3	CF stretch	522.8		N₂	IR	Arguello, Grothe, et al., 1995
b₁	4	OPLA	735.2	w m	Ne	IR	Arguello, Grothe, et al., 1995
	4	OPLA	730.6		Ar	IR	Arguello, Grothe, et al., 1995
	4	OPLA	728.5		N₂	IR	Arguello, Grothe, et al., 1995
b₂	5	OCO a-stretch	1094.14		gas	IR	Zelinger, 2003 Perrin, Strizik, et al., 2010 Bailleux, Zelinger, et al., 2012
	5	OCO a-stretch	1097.7	m s	Ne	IR	Arguello, Grothe, et al., 1995
	5	OCO a-stretch	1113.6		Ar	IR	Arguello, Grothe, et al., 1995
	5	OCO a-stretch	1116.5		N₂	IR	Arguello, Grothe, et al., 1995
	6	FCO bend	474.3	w m	Ne	IR	Arguello, Grothe, et al., 1995
	6	FCO bend	482.5		Ar	IR	Arguello, Grothe, et al., 1995
	6	FCO bend	481.3		N₂	IR	Arguello, Grothe, et al., 1995

Additional references: Jacox, 1994, page 203; Jacox, 1998, page 256; Zelinger, Bailleux, et al., 2007; Kolesnikova, Varga, et al., 2008; Koucky, Kolesnikova, et al., 2012

Notes

Weak

Medium

Strong

Very strong

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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Maricq, Szente, et al., 1993
Maricq, M.M.; Szente, J.J.; Li, Z.; Francisco, J.S., Visible absorption spectroscopy of the B 2A1--X 2B2 transition of fluoroformyloxyl radical, FC(O)O, J. Chem. Phys., 1993, 98, 2, 784, https://doi.org/10.1063/1.464241 . [all data]

Maricq, Szente, et al., 1993, 2
Maricq, M.M.; Szente, J.J.; Khitrov, G.A.; Francisco, J.S., Temperature dependent kinetics of the formation and self-reactions of FC(O)O2 and FC(O)O radicals, J. Chem. Phys., 1993, 98, 12, 9522, https://doi.org/10.1063/1.464383 . [all data]

Arguello, Grothe, et al., 1995
Arguello, G.A.; Grothe, H.; Kronberg, M.; Willner, H.; Mack, H.-G., IR and Visible Absorption Spectrum of the Fluoroformyloxyl Radical, FCO2.bul., Isolated in Inert Gas Matrixes, J. Phys. Chem., 1995, 99, 49, 17525, https://doi.org/10.1021/j100049a010 . [all data]

Arnold, Bradforth, et al., 1995
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M., Study of halogen carbon dioxide clusters and the fluoroformyloxyl radical by photodetachment of X(-)(CO2) (X=I,Cl,Br) and FCO2-, J. Chem. Phys., 1995, 102, 9, 3493, https://doi.org/10.1063/1.468575 . [all data]

Zelinger, 2003
Zelinger, Z., P.Drean, 2003, A.Walters, J.Moreno, M.Bogey, H.Pernice, S.von Ahsen, H.Willner, J.Breidung, W.Thiel, H.Burger, J. Chem. Phys. 118, 1214. [all data]

Perrin, Strizik, et al., 2010
Perrin, A.; Strizik, M.; Beckers, H.; Willner, H.; Zelinger, Z.; Pracna, P.; Nevrly, V.; Grigorova, E., First analysis of the high resolution FTIR spectrum of the ν, Mol. Phys., 2010, 108, 6, 723, https://doi.org/10.1080/00268970903514579 . [all data]

Bailleux, Zelinger, et al., 2012
Bailleux, S.; Zelinger, Z.; Beckers, H.; Willner, H.; Grigorova, E., High-resolution FTIR study of the CO stretching band ν4 of the fluoroformyloxyl radical, FCO2, J. Mol. Spectrosc., 2012, 278, 11, https://doi.org/10.1016/j.jms.2012.06.015 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Zelinger, Bailleux, et al., 2007
Zelinger, Z.; Bailleux, S.; Babankova, D.; Simecova, M.; Striteska, L.; Kolesnikova, L.; Musil, P.; Kania, P.; Urban, S., et al., High resolution rotational spectrum of FCO2 radical (extension to lower frequencies), J. Mol. Spectrosc., 2007, 243, 2, 292, https://doi.org/10.1016/j.jms.2007.02.017 . [all data]

Kolesnikova, Varga, et al., 2008
Kolesnikova, L.; Varga, J.; Beckers, H.; Simecova, M.; Zelinger, Z.; Striteska, L.N.; Kania, P.; Willner, H.; Urban, S., Detailed study of fine and hyperfine structures in rotational spectra of the free fluoroformyloxyl radical FCO[sub 2]•, J. Chem. Phys., 2008, 128, 22, 224302, https://doi.org/10.1063/1.2933499 . [all data]

Koucky, Kolesnikova, et al., 2012
Koucky, J.; Kolesnikova, L.; Uhlikova, T.; Vaga, J.; Kania, P.; Beckers, H.; Willner, H.; Urban, S., The fluoroformyloxyl radical geometry and ground-state rotational spectra of the free FC18O2[middle dot] radical, J. Chem. Phys., 2012, 136, 9, 094309, https://doi.org/10.1063/1.3689387 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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