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Table 2.

Theoretical and experimental values for the spectroscopic parameters of HC3S+ (all in MHz).

HC3P
HC3S+
Parameter Calc. (a) Exp. (b) Calc. (a) Scaled (c) Exp. (TMC-1) (d) Exp. (Labo) (d) Exp. (Merged) (d)
Be 2658.238 2736.349
Vib-Rot. Corr. 2.430 1.801
B0 2655.808 2656.393295(52) 2734.548 2735.150 2735.4630(12) 2735.46310(70) 2735.46311(23)
D × 103 0.171 0.1810132(39) 0.162 0.171 0.171(9) 0.172(17) 0.1720(29)

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

(a)

B and D derived from ab initio calculations in this work.

(c)

This work; scaled by the ratio Exp/Calc. of the corresponding parameter for HC3P species.

(d)

Experimental rotational and distortion constants derived in this work.

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