H2CCCH2+

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: Marilyn E. Jacox

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 61400 ± 800 gas Thomas and Thompson, 1974

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 35638 ± 32 gas Thomas and Thompson, 1974
Cederbaum, Domcke, et al., 1978
Yang, Wang, et al., 1990
Baltzer, Wannberg, et al., 1995
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 CH2 scissors 1320 ± 6 gas PE Yang, Wang, et al., 1990
Baltzer, Wannberg, et al., 1995
3 C3 s-stretch 1030 ± 6 gas PE Yang, Wang, et al., 1990
Baltzer, Wannberg, et al., 1995

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
CH2 stretch 3047.3 w m Ne IR Forney, Jacox, et al., 2001
CH2 stretch 2956.0 m Ne IR Forney, Jacox, et al., 2001
CH2 deform. 1314.4 s Ne IR Forney, Jacox, et al., 2001
880.4 m Ne IR Forney, Jacox, et al., 2001
b1 4 Torsion 745.7 gas PE TPE Yang, Wang, et al., 1990
Baltzer, Wannberg, et al., 1995
Schulenburg and Merkt, 2009
738.4 w m Ne IR Forney, Jacox, et al., 2001

Additional references: Jacox, 1994, page 362; Jacox, 1998, page 323; Jacox, 2003, page 335

Notes

wWeak
mMedium
sStrong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

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

Thomas and Thompson, 1974
Thomas, R.K.; Thompson, H., The photoelectron spectra of allene, deuteroallenes and tetrafluoroallene, Proc. R. Soc. London A:, 1974, 339, 29. [all data]

Cederbaum, Domcke, et al., 1978
Cederbaum, L.S.; Domcke, W.; Koppel, H., Jahn---Teller effect induced by non-degenerate vibrational modes in cumulenes, Chem. Phys., 1978, 33, 3, 319, https://doi.org/10.1016/0301-0104(78)87081-5 . [all data]

Yang, Wang, et al., 1990
Yang, Z.Z.; Wang, L.S.; Lee, Y.T.; Shirley, D.A.; Huang, S.Y.; Lester, W.A., Jr., Molecular beam photoelectron spectroscopy of allene, Chem. Phys. Lett., 1990, 171, 9. [all data]

Baltzer, Wannberg, et al., 1995
Baltzer, P.; Wannberg, B.; Lundqvist, M.; Karlsson, L.; Holland, D.M.P.; MacDonald, M.A.; von Niessen, W., An experimental and theoretical study of the valence shell photoelectron spectrum of allene, Chem. Phys., 1995, 196, 3, 551, https://doi.org/10.1016/0301-0104(95)00133-9 . [all data]

Forney, Jacox, et al., 2001
Forney, D.; Jacox, M.E.; Lugez, C.L.; Thompson, W.E., Matrix isolation study of the interaction of excited neon atoms with allene and propyne: Infrared spectra of H[sub 2]CCCH[sub 2][sup +] and H[sub 2]CCCH[sup -], J. Chem. Phys., 2001, 115, 18, 8418, https://doi.org/10.1063/1.1402998 . [all data]

Schulenburg and Merkt, 2009
Schulenburg, A.M.; Merkt, F., Rotationally resolved photoelectron spectroscopic study of the Jahn--Teller effect in allene, J. Chem. Phys., 2009, 130, 3, 034308, https://doi.org/10.1063/1.3056385 . [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]

Notes

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