Discovery of the elusive thioketenylium, HCCS+, in TMC-1

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Table 1.

Spectroscopic parameters of HCCS⁺, in MHz.

Parameter	TMC-1 fit	Theoretical	CCS ^(a)
B	6021.89878(55) ^(b)	6021.2 ^(c)^(d)	6477.75036(71)
D	0.0012543(72)	0.00120 ^(e)	0.00172796(95)
λ	108970.78(83)	–	97196.07(77)
λ_D	0.04060(65)	–	0.02700(67)
γ	−41.776(46)	−18.4 ^(e)	−14.737(49)
b_F^(H)	−44.961(23)	−47.6 ^(f)	–
c^(H)	31.663(70)	71.6 ^(f)	–
σ^(g)	26.1	–	18
N	26	–	31

Notes.

^(a)

Values from Yamamoto et al. (1990).

^(b)

Numbers in parentheses are 1σ uncertainties in units of the last digits.

^(c)

B value was corrected using the experimental and theoretical constants of CCS (see text).

^(d)

RCCSD(T)-F12/cc-pCVTZ-F12.

^(e)

UMP2/cc-pVTZ.

^(f)

QCISD/cc-pVTZ.

^(g)

In units of kHz.

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