CH3(CC)2CH3+

• Formula: C₆H₆⁺
• Molecular weight: 78.1113
• CAS Registry Number: 61369-13-9
• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
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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

State:   X

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

Notes

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.

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(π-1) → X(π-1), and fragmentation decay of the Ã(π-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≡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]

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

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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