HCCI+

Formula: C₂HI⁺
Molecular weight: 151.9333
CAS Registry Number: 34500-62-4
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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 = 17373.94 ± 0.03	gas	A-X	521	750	Allan, Kloster-Jensen, et al., 1977
					Maier and Ochsner, 1985
					Fulara, Klapstein, et al., 1986

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


Σ⁺	2	CC stretch	1822 ± 2	gas	LF	Maier and Ochsner, 1985
	3	CI stretch	407 ± 2	gas	LF EF	Maier and Ochsner, 1985 Fulara, Klapstein, et al., 1986
Π	4	HCC bend	612 ± 2	gas	LF	Maier and Ochsner, 1985
	5	CCI bend	212	gas	EF	Fulara, Klapstein, et al., 1986

State: X

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


Σ⁺	1	CH stretch	3258 ± 2	gas	EF	Fulara, Klapstein, et al., 1986
	2	CC stretch	1805 ± 10	gas	EF	Fulara, Klapstein, et al., 1986
	3	CI stretch	578 ± 2	gas	EF	Fulara, Klapstein, et al., 1986
Π	4	HCC bend	542 ± 10	gas	EF	Fulara, Klapstein, et al., 1986
	5	CCI bend	237 ± 2	gas	EF	Fulara, Klapstein, et al., 1986

Additional references: Jacox, 1994, page 159

Notes

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

References

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Allan, Kloster-Jensen, et al., 1977
Allan, M.; Kloster-Jensen, E.; Maier, J.P., J. Chem. Soc., 1977, Faraday Trans. 2 73, 1406. [all data]

Maier and Ochsner, 1985
Maier, J.P.; Ochsner, M., J. Chem. Soc., 1985, Faraday Trans. 2 81, 1587. [all data]

Fulara, Klapstein, et al., 1986
Fulara, J.; Klapstein, D.; Kuhn, R.; Maier, J.P., Emission spectra of supersonically cooled haloacetylene cations: X-C.tplbond.C-H(D)+, X = Br, I, J. Phys. Chem., 1986, 90, 10, 2061, https://doi.org/10.1021/j100401a018 . [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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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