CD3(CC)2D+

Formula: C₅D₄⁺
Molecular weight: 68.1094
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Vibrational and/or electronic energy levels

State: A

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


a₁	5	C-C a-stretch	1157		gas	EF	Leutwyler, Klapstein, et al., 1983
	6	CD₃ deform.	1019	T	gas	EF	Leutwyler, Klapstein, et al., 1983
	7	C-C s-stretch	617	T	gas	EF	Maier, Marthaler, et al., 1980 Leutwyler, Klapstein, et al., 1983
e	13	Skel. bend	284	H T	gas	EF	Leutwyler, Klapstein, et al., 1983

State: X

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


a₁	3	CC stretch	2186		gas	EF	Maier, Marthaler, et al., 1980 Leutwyler, Klapstein, et al., 1983
	4	CC stretch	1884		gas	EF	Leutwyler, Klapstein, et al., 1983
	5	CD₃ deform.	1020		gas	EF	Maier, Marthaler, et al., 1980 Leutwyler, Klapstein, et al., 1983
	6	C-C a-stretch	1219		gas	EF	Maier, Marthaler, et al., 1980 Leutwyler, Klapstein, et al., 1983
	7	C-C s-stretch	634		gas	EF	Maier, Marthaler, et al., 1980 Leutwyler, Klapstein, et al., 1983
e	13	Skel. deform.	283	H	gas	EF	Leutwyler, Klapstein, et al., 1983
	13	Skel. deform.	292	H	gas	EF	Leutwyler, Klapstein, et al., 1983

Notes

(1/2)(2ν)

Tentative assignment or approximate value

References

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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]

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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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