Table 5.

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

Parameter Groner et al. (2002) Modified fit of Groner et al. (2002) This work
ρ 0.0621760 (60) 0.062257 (38) 0.0619535 (120)
β 25.8322 (93) 26.196 (48) 25.5065 (76)
A/MHz 10165.21654 (80) 10165.21755 (64) 10165.217780 (280)
B/MHz 8515.16477 (65) 8515.16382 (53) 8515.163068 (248)
C/MHz 4910.19903 (44) 4910.19880 (36) 4910.198777 (209)
ΔJ/kHz 4.9055 (25) 4.87712 (192) 4.854449 (219)
ΔJK/kHz −3.620 (17) −3.3984 (103) −3.17067 (60)
ΔK/kHz 10.245 (17) 10.0333 (109) 9.79105 (88)
δJ/kHz 2.0645 (12) 2.05031 (93) 2.038605 (99)
δK/kHz −0.7393 (56) −0.68451 (285) −0.60720 (39)
ΦJ/mHz 50.6 (34) 30.59 (166) 6.505 (71)
ΦJK/mHz −337. (20) −202.8 (66) −32.02 (31)
ΦKJ/mHz 0. 0. 43.45 (114)
ΦK/mHz 423. (20) 279.1 (51) 20.91 (136)
ϕJ/mHz 25.4 (17) 15.36 (83) 3.225 (34)
ϕJK/mHz −27.3 (41) 0. 39.595 (166)
ϕK/mHz −221.5 (83) −168.70 (295) −76.16 (58)
ϵ10/MHz −763.198 (62) −764.574 (178) −764.737 (38)
ϵ20/MHz 0.767 (13) 0.7851 (100) 0.77490 (283)
ϵ11/MHz 1.050 (43) 1.092 (33) 1.0902 (95)
ϵ1 − 1/MHz 0.0800 (83) 0.0800 (61) 0.07346 (262)
[A − (B + C)/2]10/kHz 55.07 (64) 83.86 (192) 49.83 (46)
[(B + C)/2]10/kHz −21.16 (56) −39.66 (274) −3.425 (262)
[(B − C)/4]10/kHz −3.40 (27) −12.54 (138) 5.536 (129)
J]10/Hz 39.06 (34) 30.01 (159) 41.66 (63)
JK]10/Hz −99.8 (17) −84.92 (295) −121.52 (172)
K]10/Hz 73.7 (17) 54.64 (259) 78.00 (128)
[δJ]10/Hz 19.60 (18) 15.15 (80) 2.429 (68)
[δK]10/Hz −34.27 (98) −32.37 (87) −19.10 (43)
[d2]10/Hz −18.54 (33)
J]10/mHz −9.268 (286)
JK]10/mHz 25.71 (67)
KJ]10/mHz −24.59 (60)
K]10/mHz 9.13 (70)
[ϕJ]10/mHz −0.684 (39)
[ϕJK]10/mHz 4.034 (105)
[ϕK]10/mHz −1.90 (37)
[h2]10/mHz 4.255 (145)
[h3]10/mHz 0.311 (39)
/kHz 103.3 (213)
/Hz −292. (37) −273.1 (92)
/kHz 340. (44) −292.90 (280)
/kHz −1.3420 (271)
/mHz 343.9 (78)
[A − (B + C)/2]1 − 1/kHz 1.62 (25)
[(B + C)/2]1 − 1/kHz −1.43 (18)
[(B − C)/4]1 − 1/kHz −0.475 (73)
[A − (B + C)/2]20/kHz 0.87 (21)
[(B + C)/2]20/kHz −0.31 (13)

No. of transitions fit 1002.0 1002.0 2181
No. of lines fit 1002.0 (b) 1002.0 (b) 1862
Standard deviation (c) 1.58 1.29 0.95

Notes.

(a)

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

(b)

Blended transitions are fit as single lines.

(c)

Weighted unitless standard value for the entire fit.

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