DCCCl+

Formula: C₂DCl⁺
Molecular weight: 61.488
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Vibrational and/or electronic energy levels

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 26997.5	gas	A-X	328	488	Klapstein, Kuhn, et al., 1984
					Klapstein, Kuhn, et al., 1985
					King, Maier, et al., 1985

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


Σ⁺	1	CD stretch	2561.5 ± 0.2	gas	LF	King, Maier, et al., 1985
	2	CC stretch	1919.7 ± 0.2	gas	LF	King, Maier, et al., 1985
	3	CCl stretch	587.2 ± 0.3	gas	EF LF	Klapstein, Kuhn, et al., 1984 Klapstein, Kuhn, et al., 1985 King, Maier, et al., 1985
Π	5	CCCl bend	216	gas	EF	Klapstein, Kuhn, et al., 1984

State: X

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


Σ⁺	1	CD stretch	2475	T	gas	EF	Klapstein, Kuhn, et al., 1984
	2	CC stretch	1882.0 ± 0.3		gas	EF	Klapstein, Kuhn, et al., 1984 Klapstein, Kuhn, et al., 1985
	3	CCl stretch	817.0 ± 0.3		gas	EF	Klapstein, Kuhn, et al., 1984 Klapstein, Kuhn, et al., 1985
Π	4	DCC bend	476		gas	EF	Klapstein, Kuhn, et al., 1984

Notes

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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Klapstein, Kuhn, et al., 1984
Klapstein, D.; Kuhn, R.; Maier, J.P., Emission spectra of supersonically cooled chloroacetylene cations, Chem. Phys., 1984, 86, 3, 285, https://doi.org/10.1016/0301-0104(84)80016-6 . [all data]

Klapstein, Kuhn, et al., 1985
Klapstein, D.; Kuhn, R.; Maier, J.P., Vibrational frequencies of isotopic species of X-C«58876»C-H+ and X-C«58876»C-X+, X«58875»Cl, Br in the ≈ XΩ and ≈ AΩ Ω = , cationic states, J. Electron Spectrosc. Relat. Phenom., 1985, 35, 1, 171, https://doi.org/10.1016/0368-2048(85)80051-7 . [all data]

King, Maier, et al., 1985
King, M.A.; Maier, J.P.; Ochsner, M., Laser-excitation spectra of the chloroacetylene and deuterochloroacetylene cations, ClCCH+ and ClCCD+, J. Chem. Phys., 1985, 83, 7, 3181, https://doi.org/10.1063/1.449175 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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