CH3(CC)2H+

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:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 20374.5 ± 0.5 gas A-X 450 630 Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Leutwyler, Klapstein, et al., 1983
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CC stretch 2135 ± 10 gas LF Maier and Misev, 1980
4 CC stretch 2000 ± 10 gas LF Maier and Misev, 1980
5 CH3 deform. 1272 ± 10 gas LF Maier and Misev, 1980
6 C-C a-stretch 1130 gas EF LF Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Leutwyler, Klapstein, et al., 1983
7 C-C s-stretch 664 T gas EF LF Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Leutwyler, Klapstein, et al., 1983
e 13 Skel. deform. 303 H T gas EF LF Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Leutwyler, Klapstein, et al., 1983
13 Skel. deform. 306 H T gas EF LF Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Leutwyler, Klapstein, et al., 1983

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CC stretch 2212 gas EF Maier, Marthaler, et al., 1980
Leutwyler, Klapstein, et al., 1983
4 CC stretch 1921 gas EF Leutwyler, Klapstein, et al., 1983
6 C-C a-stretch 1203 gas EF Maier, Marthaler, et al., 1980
Leutwyler, Klapstein, et al., 1983
7 C-C s-stretch 685 gas EF Maier, Marthaler, et al., 1980
Leutwyler, Klapstein, et al., 1983
7 C-C s-stretch 691 gas EF Maier, Marthaler, et al., 1980
Leutwyler, Klapstein, et al., 1983
e 13 Skel. deform. 313 H gas EF Leutwyler, Klapstein, et al., 1983
13 Skel. deform. 324 gas EF Leutwyler, Klapstein, et al., 1983

Additional references: Jacox, 1994, page 385; Forster, Maier, et al., 1981

Notes

H(1/2)(2ν)
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Kloster-Jensen, E., Emission spectra of alkyl substituted diacetylene radical cations: CH3--C≡C--C≡C--R+ with R=H, D, CH3, and CD3; CD3--C≡C--C≡C--R+ with R=H, D, CD3 and C2H5--C≡C--C≡C--R+ with R=H and C2H5. Competition of the radiative A (π-1) → X (π-1) and fragmentation decay of their A (π-1) states, J. Chem. Phys., 1980, 72, 1, 701, https://doi.org/10.1063/1.438905 . [all data]

Maier and Misev, 1980
Maier, J.P.; Misev, L., Laser induced excitation spectra of the cations of 1,3-pentadiynes, R«58872»(C«58876»C)«58872»2H+; R «58875» CH3, CD3: (2E ← 2E) and of 2,4-hexadiynes, R«58872» (C«58876»C)«58872»2R+; R «58875» CH3, CD3; (2Eu ← 2Eg) in the gaseous phase, Chem. Phys., 1980, 51, 3, 311, https://doi.org/10.1016/0301-0104(80)80105-4 . [all data]

Leutwyler, Klapstein, et al., 1983
Leutwyler, S.; Klapstein, D.; Maier, J.P., Emission spectra of supersonically cooled methyldiacetylene cations, Chem. Phys., 1983, 78, 2, 151, https://doi.org/10.1016/0301-0104(83)85104-0 . [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]

Forster, Maier, et al., 1981
Forster, P.; Maier, J.P.; Thommen, F., Radiative and non-radiative decay rates of alkyl substituted diacetylene cations at selected energies within their 2A states determined via photoelectron-photoion coincidence measurements, Chem. Phys., 1981, 59, 85. [all data]

Notes

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