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H2CCO+


Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: M.E. Jacox

State:   E


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 68343 ± 11 gas Hall, Maier, et al., 1977
Niu, Bai, et al., 1993


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

a1 3 CH2 scissors 1177 ± 4 gas PE Hall, Maier, et al., 1977
Niu, Bai, et al., 1993
671 ± 4 gas PE Niu, Bai, et al., 1993
397 ± 4 gas PE Niu, Bai, et al., 1993

State:   D


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 53414 T gas Hall, Maier, et al., 1977
Niu, Bai, et al., 1993


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

a1 1488 ± 4 gas PE Niu, Bai, et al., 1993
1164 ± 4 gas PE Niu, Bai, et al., 1993
709 ± 4 gas PE Niu, Bai, et al., 1993

State:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 52037 ± 10 gas Baker and Turner, 1969
Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993


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

a1 2 1697 ± 4 gas PE Niu, Bai, et al., 1993
3 CH2 scissors 1087 ± 4 gas PE Baker and Turner, 1969
Hall, Maier, et al., 1977
Niu, Bai, et al., 1993

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 40259 ± 10 gas Baker and Turner, 1969
Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993


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

a1 2 CCO a-stretch 2001 ± 4 gas PE Niu, Bai, et al., 1993
4 CCO s-stretch 1001 ± 4 gas PE Baker and Turner, 1969
Hall, Maier, et al., 1977
Niu, Bai, et al., 1993
347 ± 4 gas PE Niu, Bai, et al., 1993

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 33706 ± 6 gas Baker and Turner, 1969
Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993


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

a1 1528 ± 4 gas PE Niu, Bai, et al., 1993
1164 ± 4 gas PE Niu, Bai, et al., 1993
690 ± 4 gas PE Niu, Bai, et al., 1993
b1 OPLA 461 ± 4 gas PE Niu, Bai, et al., 1993

State:   X


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

a1 2 CCO a-stretch 2226.5 ± 1.2 gas TPE TPI Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993
Willitsch, Haldi, et al., 2002
Wang, Shi, et al., 2002
3 CH2 scissors 1351.4 ± 2.0 gas TPE TPI Niu, Bai, et al., 1993
Willitsch, Haldi, et al., 2002
Wang, Shi, et al., 2002
4 CCO s-stretch 1021.4 ± 1.2 gas TPE TPI Willitsch, Haldi, et al., 2002
Wang, Shi, et al., 2002
b1 5 CH2 wag 745 ± 3 gas TPI Wang, Shi, et al., 2002
6 CCO bend 470 ± 3 gas TPI Wang, Shi, et al., 2002
b2 9 CCO bend 403 ± 3 gas TPI Wang, Shi, et al., 2002

Additional references: Jacox, 1994, page 250; Jacox, 1998, page 280

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, 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.

Hall, Maier, et al., 1977
Hall, D.; Maier, J.P.; Rosmus, P., Electronic states of ketene radical cation, Chem. Phys., 1977, 24, 373. [all data]

Niu, Bai, et al., 1993
Niu, B.; Bai, Y.; Shirley, D.A., High resolution He I«alpha» photoelectron spectroscopy of H2CCO and D2CCO using supersonic molecular beams, Chem. Phys. Lett., 1993, 201, 1-4, 217. [doi:10.1016/0009-2614(93)85059-W] [all data]

Baker and Turner, 1969
Baker, D.; Turner, D.W., J. Chem. Soc. D, 1969, 480. [all data]

Vogt, Williamson, et al., 1978
Vogt, J.; Williamson, A.D.; Beauchamp, J.L., Properties and reactions of ketene in the gas phase by ion cyclotron resonance spectroscopy and photoionization mass spectrometry. Proton affinity, site specificity of protonation, and heat of formation of ketene, J. Am. Chem. Soc., 1978, 100, 3478. [all data]

Willitsch, Haldi, et al., 2002
Willitsch, S.; Haldi, A.; Merkt, F., Rovibrational energy level structure of the ground electronic state of CH2CO+ and CD2CO+, Chem. Phys. Lett., 2002, 353, 1-2, 167. [doi:10.1016/S0009-2614(01)01495-6] [all data]

Wang, Shi, et al., 2002
Wang, S.; Shi, Y.; Jakubek, Z.J.; Barnett, M.; Simard, B.; Muller-Dethlefs, K.; Liu, C.-P.; Lee, Y.-P., Nonresonant two-photon mass analyzed threshold ionization and zero kinetic energy photoelectron investigation of the X [sup 2]B[sub 1] ground state of CH[sub 2]CO[sup +] and CD[sub 2]CO[sup +], J. Chem. Phys., 2002, 117, 14, 6546. [doi:10.1063/1.1506157] [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. [doi:10.1063/1.556017] [all data]


Notes

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