CH3CCH+

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:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 55100 ± 800 gas Baker and Turner, 1968

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 39000 ± 800 gas Baker and Turner, 1968

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 26790 ± 100 gas Baker and Turner, 1968
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 4 CH3 deform. 1290 ± 40 gas PE Baker and Turner, 1968

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 CH stretch 3226.7 T Ne IR Forney, Jacox, et al., 2001
2 CH stretch 2767 T gas PI Ho, Lin, et al., 1998
3 CC stretch 1996 ± 38 gas PE PI Ho, Lin, et al., 1998
5 CC stretch 940 ± 40 gas PE Baker and Turner, 1968
e 9 CCH deform. 586 ± 74 gas PI Ho, Lin, et al., 1998
10 Deformation 289 ± 65 gas PI Ho, Lin, et al., 1998

Additional references: Jacox, 2003, page 335; Xing, Bahng, et al., 2008

Notes

TTentative assignment or approximate value
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

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.

Baker and Turner, 1968
Baker, C.; Turner, D.W., High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes, Proc. Roy. Soc. (London), 1968, A308, 19. [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]

Ho, Lin, et al., 1998
Ho, G.H.; Lin, M.S.; Wang, Y.L.; Chang, T.W., Photoabsorption and photoionization of propyne, J. Chem. Phys., 1998, 109, 14, 5868, https://doi.org/10.1063/1.477209 . [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]

Xing, Bahng, et al., 2008
Xing, X.; Bahng, M.-K.; Reed, B.; Lam, C.S.; Lau, K.-C.; Ng, C.Y., Rovibrationally selected and resolved pulsed field ionization-photoelectron study of propyne: Ionization energy and spin-orbit interaction in propyne cation, J. Chem. Phys., 2008, 128, 9, 094311, https://doi.org/10.1063/1.2836429 . [all data]

Notes

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