Laboratory measurements and astronomical search for the HSO radical

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Table 1

Spectroscopic parameters^a of HSO.

Parameter	This work		Endo et al. (1981)^b

	Experiment^c	Theory^d

A₀/MHz	299 483.90(12)	300 316.2	299 484.68(14)
B₀/MHz	20 502.7847(10)	20 527.6	20 502.7823(83)
C₀/MHz	19 135.6989(10)	19 160.0	19 135.7168(83)
D_N/kHz	29.4675(13)	28.61	29.64(11)
D_NK/kHz	904.18(11)	882.33	903.41(40)
D_K/MHz	26.24(11)	25.99	[27.2]
d₁/kHz	−2.02504(43)	−1.86	−1.926(65)
d₂/kHz	−0.35187(30)	−0.29	−0.527(52)
H_N/mHz	−28.42(75)	−29.07
H_NK/Hz	2.779(88)	2.28
H_KN/Hz	144.7(43)	126.26
H_K/kHz	[6.43]	6.43
h₁× 10²/mHz	[−8.32]	−8.32
h₂/mHz	[3.69]	3.69
h₃/mHz	1.10(22)	0.725
L_JK/mHz	−11.4(32)
ϵ_aa/MHz	−10 366.15(10)	−10 979.0(−10 940.5)	−10 366.17(16)
ϵ_bb/MHz	−426.633(17)	−439.4(−438.9)	−426.683(31)
ϵ_cc/MHz	0.191(21)	2.82(3.29)	0.210(48)
/MHz	377.971(16)	404.8(403.3)	377.81(80)
^e/MHz	0.047(12)
^e/MHz	2.979(10)		3.023(35)
^e/MHz	−0.001676(32)
^e/MHz	0.0638(36)
^e/kHz	−0.114(30)
a_F(H)/MHz	−35.72(50)	−35.94(−34.58)	−35.98(42)
T_aa(H)/MHz	−11.932(86)	−12.38(−13.25)	−11.883(71)
T_bb(H)/MHz	10.45(14)	10.71(11.25)	10.41(11)
T_ab(H)/MHz	[−7.53]^f	−7.56(−7.53)	[−7.8]^f
C_aa(H)/kHz		−20.18(−21.56)
C_bb(H)/kHz		2.51(2.51)
C_cc(H)/kHz		−1.52(−1.59)

Notes.

^(a)

Watson S-reduction. Uncertainties (1σ) are in units of the last significant digit.

^(b)

Watson S-reduction parameters obtained by re-fitting the frequency values reported in Endo et al. (1981).

^(c)

Values given in square brackets are kept fixed at the computed values.

^(d)

Equilibrium rotational constants at the CBS+CV+fT+fQ level augmented by vibrational corrections at the CCSD(T)/cc-pCVQZ level. Quartic and sextic centrifugal-distortion constants at the CCSD(T)/cc-pCVQZ level. Hyperfine parameters − equilibrium values (given in parentheses): electronic and nuclear SR constants at the CCSD(T)/cc-pCV5Z level, isotropic and anisotropic hyperfine coupling constants at the aug-cc-pCV5Z level. Equilibrium values augmented by vibrational corrections at the CCSD(T)/cc-pVTZ level.

^(e)

Centrifugal-distortion dependence of the electron spin-rotation constants, as given in Endo et al. (1981).

^(f)

The negative sign means the sign of T_ab is opposite to that of 1/2(ϵ_ab + ϵ_ba).

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