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CH3(CC)2CH3+


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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 20556 gas A-X 425 625 Allan, Maier, et al., 1978
Miller, Bondybey, et al., 1979
Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Klapstein, Kuhn, et al., 1983
Dzhonson and Maier, 2006
To = 20499 Ne A-X 425 555 Bondybey, English, et al., 1979
To = 20190 T Ar A-X Bondybey, English, et al., 1979


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

a1g 2 CC stretch 2126 ± 2 gas LF Miller, Bondybey, et al., 1979
Maier and Misev, 1980
2 CC stretch 2137 Ne LF Bondybey, English, et al., 1979
2 CC stretch 2118 ± 10 Ar LF Bondybey, English, et al., 1979
3 1336 gas PF Dzhonson and Maier, 2006
4 C-C stretch 1219 gas LF PF Miller, Bondybey, et al., 1979
Maier and Misev, 1980
Klapstein, Kuhn, et al., 1983
Dzhonson and Maier, 2006
4 C-C stretch 1231 Ne LF Bondybey, English, et al., 1979
4 C-C stretch 1220 Ar LF Bondybey, English, et al., 1979
5 C-C stretch 524 gas LF PF Miller, Bondybey, et al., 1979
Maier, Marthaler, et al., 1980
Maier and Misev, 1980
Klapstein, Kuhn, et al., 1983
Dzhonson and Maier, 2006
5 C-C stretch 531 Ne LF Bondybey, English, et al., 1979
5 C-C stretch 518 Ar LF Bondybey, English, et al., 1979
eu 14 Skel. deform. 350 T gas PF Dzhonson and Maier, 2006
15 Skel. deform. 121 T gas PF Dzhonson and Maier, 2006
eg 20 Skel. bend 248 H gas EF Klapstein, Kuhn, et al., 1983
Dzhonson and Maier, 2006

State:   X


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

a1g 2 CC stretch 2247 gas EF Allan, Maier, et al., 1978
Maier, Marthaler, et al., 1980
Klapstein, Kuhn, et al., 1983
2 CC stretch 2246 Ne LF Bondybey, English, et al., 1979
4 C-C stretch 1323 gas EF Allan, Maier, et al., 1978
Klapstein, Kuhn, et al., 1983
4 C-C stretch 1322 Ne LF Bondybey, English, et al., 1979
5 C-C stretch 555 gas EF LF Allan, Maier, et al., 1978
Miller, Bondybey, et al., 1979
Maier, Marthaler, et al., 1980
Klapstein, Kuhn, et al., 1983
5 C-C stretch 558 Ne LF Bondybey, English, et al., 1979
eu 14 Skel. deform. 327 H gas EF Klapstein, Kuhn, et al., 1983
eg 20 Skel. deform. 237 H gas EF Klapstein, Kuhn, et al., 1983

Additional references: Jacox, 1994, page 390; Forster, Maier, et al., 1981

Notes

H(1/2)(2nu)
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.

Allan, Maier, et al., 1978
Allan, M.; Maier, J.P.; Marthaler, O.; Kloster-Jensen, E., Emission spectra of two C6H6+ cations in the gas phase: competition of the radiative, Ã(«pi»-1) --> X(«pi»-1), and fragmentation decay of the Ã(«pi»-1) excited state of 2,4- and 1,3-hexadiyne radical cations, Chem. Phys., 1978, 29, 3, 331, https://doi.org/10.1016/0301-0104(78)85083-6 . [all data]

Miller, Bondybey, et al., 1979
Miller, T.A.; Bondybey, V.E.; Zegarski, B.R., Laser induced fluorescence spectrum of gaseous C6H+6, J. Chem. Phys., 1979, 70, 11, 4982, https://doi.org/10.1063/1.437338 . [all data]

Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Kloster-Jensen, E., Emission spectra of alkyl substituted diacetylene radical cations: CH3--C«equiv»C--C«equiv»C--R+ with R=H, D, CH3, and CD3; CD3--C«equiv»C--C«equiv»C--R+ with R=H, D, CD3 and C2H5--C«equiv»C--C«equiv»C--R+ with R=H and C2H5. Competition of the radiative A («pi»-1) --> X («pi»-1) and fragmentation decay of their A («pi»-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]

Klapstein, Kuhn, et al., 1983
Klapstein, D.; Kuhn, R.; Leutwyler, S.; Maier, J.P., Emission spectra of supersonically cooled dimethyldiacetylene cations, Chem. Phys., 1983, 78, 2, 167, https://doi.org/10.1016/0301-0104(83)85105-2 . [all data]

Dzhonson and Maier, 2006
Dzhonson, A.; Maier, J.P., Electronic absorption spectra of cold organic cations: 2,4-Hexadiyne, Int. J. Mass Spectrom., 2006, 255-256, 139, https://doi.org/10.1016/j.ijms.2005.12.019 . [all data]

Bondybey, English, et al., 1979
Bondybey, V.E.; English, J.H.; Miller, T.A., Dimethyl-diacetylene radical cation and its fluorescence spectra in rare gas matrices, J. Chem. Phys., 1979, 70, 4, 1765, https://doi.org/10.1063/1.437695 . [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

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