Discovery of HC3O+ in space: The chemistry of O-bearing species in TMC-1

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This article has an erratum: [https://doi.org/10.1051/0004-6361/202039351e]

Table 2.

Rotational constants and electric dipole moments of potential candidates.

Molecule	B₀	D	μ^(a)
	(MHz)	(kHz)	(D)
New species ^(b)	4460.6	0.510

HC₃O⁺^(c)	4460.5	0.469	3.41
HCNCN⁺^(d)	4792.8	0.554	8.33
HNCNC⁺^(d)	4899.1	0.511	3.96
HCNNC⁺^(d)	5210.8	0.611	6.17
HCCNCH⁺^(d)	4646.4	0.458	3.45
HNCCCH⁺^(d)	4327.0	0.395	1.15
HCCCO⁻^(d)	4246.8	0.311	0.31

Notes.

^(a)

Dipole moment calculated at the CCSD(T)-F12/cc-pCVTZ-F12 level of theory.

^(b)

Values derived from the frequencies observed in TMC-1 (see Sect. 3).

^(c)

B₀ and D values scaled by the ratio Exp/Calc. of the corresponding parameter HC₃N species (see Table 3).

^(d)

All the parameters for these species have been calculated at the CCSD(T)-F12/cc-pCVTZ-F12 level of theory. No corrections using scaling factors have been applied.

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