CO2+

Formula: CO₂⁺
Molecular weight: 44.0090
IUPAC Standard InChI: InChI=1S/CO2/c2-1-3/q+1
IUPAC Standard InChIKey: PCDPTONYKSNEJX-UHFFFAOYSA-N
CAS Registry Number: 12181-61-2
Chemical structure:
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Vibrational and/or electronic energy levels

State: C

Energy (cm^-1)	Med.	References


T_o = 45157 ± 3	gas	Baer and Guyon, 1986
		Wang, Reutt, et al., 1988
		Wyttenbach, Evard, et al., 1989

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


Σ_g⁺	1	Sym. stretch	1352 ± 4	gas	PE	Wang, Reutt, et al., 1988
Π_u	2	Bend	614 ± 4	gas	TPE PE	Baer and Guyon, 1986 Wang, Reutt, et al., 1988
Σ_u⁺	3	Asym. stretch	1567 ± 4	gas	PE	Wang, Reutt, et al., 1988

State: ?

Med.	Transition	λ_min (nm)	λ_max (nm)	References


gas	C-A	585	640	Wyttenbach, Evard, et al., 1989

State: B

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


T_o = 34591.6	gas	B-X	287	291	Bueso-Sanllehi, 1941
					Gauyacq, Horani, et al., 1975
					Watson, Vervloet, et al., 1994
					Johnson and Rostas, 1995

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


Σ_g⁺	1	Sym. stretch	1284 ± 10	gas	TPE PE	Baer and Guyon, 1986 Wang, Reutt, et al., 1988 Liu, Hochlaf, et al., 2000
Π_u	2	Bend	590 ± 10	gas	EM TPE	Gauyacq, Horani, et al., 1975 Wang, Reutt, et al., 1988 Liu, Hochlaf, et al., 2000
Σ_u⁺	3	Asym. stretch	1891 ± 10	gas	EM TPE	Wannberg, Veenhuizen, et al., 1984 Wang, Reutt, et al., 1988 Johnson and Rostas, 1995 Liu, Hochlaf, et al., 2000 Shaw and Holland, 2005

State: A

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


T_o = 28500.35	gas	A-X	253	490	Mrozowski, 1941
					Johns, 1964
					Gauyacq, Larcher, et al., 1979
					Larzilliere, Lacoursiere, et al., 1993
					Johnson and Rostas, 1995
					Baltzer, Chau, et al., 1996
					Rupper and Merkt, 2004
					Gharaibeh and Clouthier, 2010

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


Σ_g⁺	1	Sym. stretch	1126.8	gas	EM TPE	Mrozowski, 1941 Mrozowski, 1947 Gauyacq, Larcher, et al., 1979 Wang, Reutt, et al., 1988 Baltzer, Chau, et al., 1996
	1	Sym. stretch	1126.8	gas	LF TPE	Liu, Hochlaf, et al., 2000 Rupper and Merkt, 2004 Gharaibeh and Clouthier, 2010
Π_u	2	Bend (w)	466.75 ± 0.14	gas	EM LF	Gauyacq, Larcher, et al., 1979 Wang, Reutt, et al., 1988 Baltzer, Chau, et al., 1996 Gharaibeh and Clouthier, 2010
	2	Bend (κ 2Su-)	568.8	gas	EM TPE	Wang, Reutt, et al., 1988 Baltzer, Chau, et al., 1996 Liu, Hochlaf, et al., 2000
	2	Bend (μ 2Su+)	440.9	gas	EM TPE	Wang, Reutt, et al., 1988 Baltzer, Chau, et al., 1996 Liu, Hochlaf, et al., 2000
Σ_u⁺	3	Asym. stretch	2685.3	gas	EM TPE	Johnson and Rostas, 1995 Liu, Hochlaf, et al., 2000

State: X

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


Σ_g⁺	1	Sym. stretch	1241.69	gas	EM DL	Mrozowski, 1947, 2 Mrozowski, 1947 Judge, Bloom, et al., 1969 Larcher, Gauyacq, et al., 1980 Frye and Sears, 1987
	1	Sym. stretch	1241.69	gas	LF TPE	Baltzer, Chau, et al., 1996 Liu, Chen, et al., 2000 Varfalvy, Larzilliere, et al., 2007
Π_u	2	Bend (w)	513.26 ± 0.06	gas	EM DL	Gauyacq, Larcher, et al., 1979 Kawaguchi, Yamada, et al., 1985 Frye and Sears, 1987
	2	Bend (w)	513.26 ± 0.06	gas	LF TPE	Merkt, Mackenzie, et al., 1993 Baltzer, Chau, et al., 1996 Liu, Chen, et al., 2000 Varfalvy, Larzilliere, et al., 2007
	2	Bend (κ 2Su-)	719.17	gas	EM DL	Gauyacq, Larcher, et al., 1979 Frye and Sears, 1987 Liu, Chen, et al., 2000
	2	Bend (2D3/2)	668.04	gas	EM DL	Gauyacq, Larcher, et al., 1979 Frye and Sears, 1987 Liu, Chen, et al., 2000
	2	Bend (2D5/2)	511.60	gas	EM DL	Gauyacq, Larcher, et al., 1979 Frye and Sears, 1987 Liu, Chen, et al., 2000
	2	Bend (μ 2Su+)	467.26	gas	EM DL	Gauyacq, Larcher, et al., 1979 Sears, 1986 Frye and Sears, 1987 Liu, Chen, et al., 2000
	2	Bend (μ 2Su+)	462.6	Ne	IR	Thompson and Jacox, 1999
Σ_u⁺	3	Asym. stretch	1423.08	gas	DL PE	Kawaguchi, Yamada, et al., 1985 Baltzer, Chau, et al., 1996 Liu, Chen, et al., 2000
	3	Asym. stretch	1421.7	Ne	IR	Jacox and Thompson, 1989 Godbout, Halasinski, et al., 1996 Zhou and Andrews, 1999 Thompson and Jacox, 1999

Additional references: Jacox, 1994, page 77; Jacox, 1998, page 185; Jacox, 2003, page 123; Mrozowski, 1942; Hesser, 1968; Schlag, Frey, et al., 1977; Maier and Thommen, 1980; Rostas and Tuckett, 1982; Johnson, Rostas, et al., 1982; Johnson, Zare, et al., 1984; Larsson, 1985; Larzilliere, 1989

Notes

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

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Baer and Guyon, 1986
Baer, T.; Guyon, P.M., Autoionization and isotope effect in the threshold photoelectron spectrum of 12CO2 and 13CO2, J. Chem. Phys., 1986, 85, 9, 4765, https://doi.org/10.1063/1.451736 . [all data]

Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A., High resolution UV photoelectron spectroscopy of CO₂, COS, and CS₂ using supersonic molecular beams, J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]

Wyttenbach, Evard, et al., 1989
Wyttenbach, T.; Evard, D.D.; Maier, J.P., Two-photon absorption spectroscopy of ion beams: CO+2 C 2Σ+g state characterization, J. Chem. Phys., 1989, 90, 9, 4645, https://doi.org/10.1063/1.456608 . [all data]

Bueso-Sanllehi, 1941
Bueso-Sanllehi, F., Rotational Analysis of the 2900A Band of CO2+, Phys. Rev., 1941, 60, 8, 556, https://doi.org/10.1103/PhysRev.60.556 . [all data]

Gauyacq, Horani, et al., 1975
Gauyacq, D.; Horani, M.; Leach, S.; Rostas, J., The Emission Spectrum of the CO2+ Ion: Band System, Can. J. Phys., 1975, 53, 19, 2040, https://doi.org/10.1139/p75-255 . [all data]

Watson, Vervloet, et al., 1994
Watson, J.K.G.; Vervloet, M.; Rostas, J.; Klapstein, D., Analysis of low-, Mol. Phys., 1994, 83, 2, 211, https://doi.org/10.1080/00268979400101211 . [all data]

Johnson and Rostas, 1995
Johnson, M.A.; Rostas, J., Vibronic structure of the CO, Mol. Phys., 1995, 85, 5, 839, https://doi.org/10.1080/00268979500101521 . [all data]

Liu, Hochlaf, et al., 2000
Liu, J.; Hochlaf, M.; Ng, C.Y., Pulsed field ionization--photoelectron bands for CO[sub 2][sup +](A [sup 2]Π[sub u] and B [sup 2]Σ[sub u][sup +]) in the energy range of 17.2--19.0 eV: An experimental and theoretical study, J. Chem. Phys., 2000, 113, 18, 7988, https://doi.org/10.1063/1.1314354 . [all data]

Wannberg, Veenhuizen, et al., 1984
Wannberg, B.; Veenhuizen, H.; Mattsson, L.; Norell, K.E.; Karlsson, L.; Siegbahn, K., High-resolution angle-resolved photoelectron spectrum of the B, J. Phys. B, 1984, 17, 8, L259, https://doi.org/10.1088/0022-3700/17/8/005 . [all data]

Shaw and Holland, 2005
Shaw, D.A.; Holland, D.M.P., A dispersed fluorescence study of the transition, J. Electron Spectrosc. Relat. Phenom., 2005, 144-147, 143, https://doi.org/10.1016/j.elspec.2005.01.018 . [all data]

Mrozowski, 1941
Mrozowski, S., On the Πu2→Πg2 Bands of CO2+. Part I, Phys. Rev., 1941, 60, 10, 730, https://doi.org/10.1103/PhysRev.60.730 . [all data]

Johns, 1964
Johns, J.W.C., A NEW ASSIGNMENT OF SOME CO, Can. J. Phys., 1964, 42, 5, 1004, https://doi.org/10.1139/p64-092 . [all data]

Gauyacq, Larcher, et al., 1979
Gauyacq, D.; Larcher, C.; Rostas, J., The emission spectrum of the CO, Can. J. Phys., 1979, 57, 10, 1634, https://doi.org/10.1139/p79-227 . [all data]

Larzilliere, Lacoursiere, et al., 1993
Larzilliere, M.; Lacoursiere, J.; el Idrissi, F.C.; Varfalvy, N.; Lafleur, P.; Ross, A.J., Fast-ion-beam laser spectroscopy of CO_{2}^{+}: Laser-induced fluorescence of the A ^{2}Π_{u}--X ^{2}Π_{g} electronic transition, Phys. Rev. A, 1993, 48, 1, 471, https://doi.org/10.1103/PhysRevA.48.471 . [all data]

Baltzer, Chau, et al., 1996
Baltzer, P.; Chau, F.T.; Eland, J.H.D.; Karlsson, L.; Lundqvist, M.; Rostas, J.; Tam, K.Y.; Veenhuizen, H.; Wannberg, B., A study of the vibronic structure in the HeI excited photoelectron spectrum of CO2 involving the X 2Πg and A 2Πu ionic states, J. Chem. Phys., 1996, 104, 22, 8922, https://doi.org/10.1063/1.471626 . [all data]

Rupper and Merkt, 2004
Rupper, P.; Merkt, F., Intense narrow-bandwidth extreme ultraviolet laser system tunable up to 20 eV, Rev. Sci. Instrum., 2004, 75, 3, 613, https://doi.org/10.1063/1.1646744 . [all data]

Gharaibeh and Clouthier, 2010
Gharaibeh, M.A.; Clouthier, D.J., Laser induced fluorescence spectroscopy of the jet-cooled carbon dioxide cation ([sup 12]CO[sub 2][sup +] and [sup 13]CO[sub 2][sup +]), J. Chem. Phys., 2010, 132, 11, 11437, https://doi.org/10.1063/1.3360309 . [all data]

Mrozowski, 1947
Mrozowski, S., On the Πu2→Πg2 Bands of CO2+. Part IV, Phys. Rev., 1947, 72, 8, 691, https://doi.org/10.1103/PhysRev.72.691 . [all data]

Mrozowski, 1947, 2
Mrozowski, S., On the Πu2→Πg2 Bands of CO2+. Part III, Phys. Rev., 1947, 72, 8, 682, https://doi.org/10.1103/PhysRev.72.682 . [all data]

Judge, Bloom, et al., 1969
Judge, D.L.; Bloom, G.S.; Morse, A.L., Studies of the CO, Can. J. Phys., 1969, 47, 5, 489, https://doi.org/10.1139/p69-064 . [all data]

Larcher, Gauyacq, et al., 1980
Larcher, C.; Gauyacq, D.; Rostas, J., J. Chim. Phys., 1980, 77, 655. [all data]

Frye and Sears, 1987
Frye, J.M.; Sears, T.J., Measurement of the Renner-Teller effect in, Mol. Phys., 1987, 62, 4, 919, https://doi.org/10.1080/00268978700102671 . [all data]

Liu, Chen, et al., 2000
Liu, J.; Chen, W.; Hsu, C.-W.; Hochlaf, M.; Evans, M.; Stimson, S.; Ng, C.Y., High resolution pulsed field ionization--photoelectron study of CO[sub 2][sup +](X [sup 2]Π[sub g]) in the energy range of 13.6--14.7 eV, J. Chem. Phys., 2000, 112, 24, 10767, https://doi.org/10.1063/1.481721 . [all data]

Varfalvy, Larzilliere, et al., 2007
Varfalvy, N.; Larzilliere, M.; Frigon, C.; Bacis, R.; Ross, A.J., Fourier transform spectra of laser-induced fluorescence from the ion: reinvestigation of Fermi resonance effects, Mol. Phys., 2007, 105, 5-7, 627, https://doi.org/10.1080/00268970701222706 . [all data]

Kawaguchi, Yamada, et al., 1985
Kawaguchi, K.; Yamada, C.; Hirota, E., Diode laser spectroscopy of the CO2+ ν3 band using magnetic field modulation of the discharge plasma, J. Chem. Phys., 1985, 82, 3, 1174, https://doi.org/10.1063/1.448489 . [all data]

Merkt, Mackenzie, et al., 1993
Merkt, F.; Mackenzie, S.R.; Rednall, R.J.; Softley, T.P., Zero-kinetic-energy photoelectron spectrum of carbon dioxide, J. Chem. Phys., 1993, 99, 11, 8430, https://doi.org/10.1063/1.466212 . [all data]

Sears, 1986
Sears, T.J., Observation of the v, Mol. Phys., 1986, 59, 2, 259, https://doi.org/10.1080/00268978600102061 . [all data]

Thompson and Jacox, 1999
Thompson, W.E.; Jacox, M.E., The vibrational spectra of CO[sub 2][sup +], (CO[sub 2])[sub 2][sup +], CO[sub 2][sup -], and (CO[sub 2])[sub 2][sup -] trapped in solid neon, J. Chem. Phys., 1999, 111, 10, 4487, https://doi.org/10.1063/1.479212 . [all data]

Jacox and Thompson, 1989
Jacox, M.E.; Thompson, W.E., The vibrational spectra of molecular ions isolated in solid neon. I. CO+2 and CO-2, J. Chem. Phys., 1989, 91, 3, 1410, https://doi.org/10.1063/1.457100 . [all data]

Godbout, Halasinski, et al., 1996
Godbout, J.T.; Halasinski, T.M.; Leroi, G.E.; Allison, J., Matrix Isolation of Mass-Selected Cations: Are Counterions Present and How Are They Formed?, J. Phys. Chem., 1996, 100, 8, 2892, https://doi.org/10.1021/jp952482k . [all data]

Zhou and Andrews, 1999
Zhou, M.; Andrews, L., Infrared spectra of the C[sub 2]O[sub 4][sup +] cation and C[sub 2]O[sub 4][sup -] anion isolated in solid neon, J. Chem. Phys., 1999, 110, 14, 6820, https://doi.org/10.1063/1.478586 . [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]

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]

Mrozowski, 1942
Mrozowski, S., On the Πu2→Πg2 Bands of CO2+. Part II, Phys. Rev., 1942, 62, 5-6, 270, https://doi.org/10.1103/PhysRev.62.270 . [all data]

Hesser, 1968
Hesser, J.E., Absolute Transition Probabilities in Ultraviolet Molecular Spectra, J. Chem. Phys., 1968, 48, 6, 2518, https://doi.org/10.1063/1.1669477 . [all data]

Schlag, Frey, et al., 1977
Schlag, E.W.; Frey, R.; Gotchev, B.; Peatman, W.B.; Pollak, H., Radiative lifetimes of ions from electron-photon coincidence measurements, Chem. Phys. Lett., 1977, 51, 3, 406, https://doi.org/10.1016/0009-2614(77)85387-6 . [all data]

Maier and Thommen, 1980
Maier, J.P.; Thommen, F., Fluorescence quantum yields and cascade-free lifetimes of state selected CO+2, COS+, CS+2 and N2O+ determined by photoelectron---photon coincidence spectroscopy, Chem. Phys., 1980, 51, 3, 319, https://doi.org/10.1016/0301-0104(80)80106-6 . [all data]

Rostas and Tuckett, 1982
Rostas, J.; Tuckett, R.P., The emission spectrum of CO2+: The band, rotationally cooled in a molecular beam, J. Mol. Spectrosc., 1982, 96, 1, 77, https://doi.org/10.1016/0022-2852(82)90215-6 . [all data]

Johnson, Rostas, et al., 1982
Johnson, M.A.; Rostas, J.A.; Zare, R.N., Optical-optical double resonance on cooled molecular ions: rotational assignments in the perturbed CO+2- system, Chem. Phys. Lett., 1982, 92, 3, 225, https://doi.org/10.1016/0009-2614(82)80265-0 . [all data]

Johnson, Zare, et al., 1984
Johnson, M.A.; Zare, R.N.; Rostas, J.; Leach, S., Resolution of the A/B photoionization branching ratio paradox for the 12CO+2 B(000) state, J. Chem. Phys., 1984, 80, 6, 2407, https://doi.org/10.1063/1.446991 . [all data]

Larsson, 1985
Larsson, M., Fluorescence Lifetimes of Levels Involving the Antisymmetric Stretch Mode of the, Phys. Scr., 1985, 31, 4, 262, https://doi.org/10.1088/0031-8949/31/4/007 . [all data]

Larzilliere, 1989
Larzilliere, M., and Ch. Jungen, 1989, Mol. Phys. 67, 807. [all data]

Notes

Go To: Top, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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