Table 4.

Ground state spectroscopic parameters(a) of 13CH3C(O)CH3.

Parameter Lovas & Groner (2006) This work
ρ1 0.060591 (37) 0.060458 (57)
ρ2 0.062047 (34) 0.061811 (58)
β1 29.5461 (36) 29.5967 (77)
180 ° −β2 21.3035 (49) 21.2614 (76)
A/MHz 10083.0347 (11) 10083.03218 (58)
B/MHz 8277.5070 (13) 8277.50617 (44)
C/MHz 4811.4692 (10) 4811.468965 (174)
ΔJ/kHz 4.62 (14) 4.5557 (147)
ΔJK/kHz −2.60 (14) −2.865 (74)
ΔK/kHz 9.34 (11) 9.456 (60)
δJ/kHz 1.901 (21) 1.8855 (77)
δK/kHz −0.253 (77) −0.226 (31)
ΦJ/Hz 0.0506046 (b)
ΦJK/Hz −0.336741 (b)
ΦKJ/Hz 0. (b)
ΦK/Hz 0.423395 (b)
ϕJ/Hz 0.0253760 (b)
ϕJK/Hz −0.0273291 (b)
ϕK/Hz −0.221468 (b)
ϵ10/MHz −756.85 (49) −759.25 (81)
ϵ01/MHz −763.15 (41) −766.18 (79)
ϵ20/MHz 0.766643 (b) 0.574 (45) (c)
ϵ02/MHz 0.766643 (b) 0.574 (45)
ϵ11/MHz 1.049511 (b) 1.0000 (212)
ϵ1 − 1/MHz 0.0799732 (b) 0.08630 (143)
[A − (B + C)/2]01/kHz 57.8 (26) 67.1 (40)
[(B + C)/2]01/kHz −18.25 (37) −15.64 (39)
[(B − C)/4]01/kHz −2.21 (18) −0.877 (193)
J]01/Hz 10.053 (91)
[A − (B + C)/2]10/kHz 57.8 (26) (c) 66.2 (34)
[(B + C)/2]10/kHz −18.25 (37) (c) −20.69 (55)
[(B − C)/4]10/kHz −2.21 (18) (c) −3.343 (271)
J]10/Hz 10.053 (91) (c)
[(B − C)/4]11/Hz −93. (33)

No. of transitions fit 55 110
No. of lines fit 55 72
Standard deviation (d) 1.54 0.93

Notes.

(a)

Numbers in parentheses are one standard deviation in units of the least significant figures.

(b)

Fixed in the fit.

(c)

Parameter of (q, q′) = (q, 0) is fixed to its counterpart equivalent parameter with (0, q).

(d)

Weighted unitless value for the entire fit.

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