Table A.2.

Spectroscopic parameters(a) of the vibrationally excited state υ17 = 1 of CH3C(O)CH3.

Parameter υ17 = 1
ρ 0.062788 (80)
β 27.100 (45)
A/MHz 10191.123(98)
B/MHz 8480.859 (81)
C/MHz 4910.06430 (229)
ΔJ/kHz 7.812 (109)
ΔJK/kHz 2.84 (118)
ΔK/kHz -37.67 (191)
δJ/kHz 3.535 (54)
δK/kHz 2.57 (46)
ΦJ//Hz 10.314 (283)
ΦJK//Hz -41.17 (111)
ΦKJ//Hz -6.42 (31)
ΦK//Hz -42.93 (178)
ϕJ/Hz 5.153 (141)
ϵ1 − 1/MHz -30.21 (74)
ϵ10/GHz 12.9700 (287)
ϵ11/MHz 102.91 (295)
ϵ20/MHz 458.9 (32)
ϵ30/MHz 21.24 (32)
[A − (B + C)/2]1 − 1/kHz -302.8 (68)
[(B + C)/2]1 − 1/kHz 36.29 (68)
JK]1 − 1/kHz 1.0376 (295)
J]1 − 1/Hz -395.6 (117)
[δK]1 − 1/Hz 341.7 (136)
[δJ]1 − 1/Hz -193.4 (59)
/MHz 43.83 (282)
[A − (B + C)/2]10/kHz -461.0 (97)
K]10/kHz -17.97 (54)
[(B + C)/2]10/kHz 812.4 (211)
[B210]10/kHz 8.41 (40)
JK]10/kHz 13.051 (258)
J]10/Hz -882.8 (224)
JK]10/Hz 6.45 (32)
[B011]10/kHz -437.0 (69)
[B101]10/MHz -5.693 (107)
[B211]10/kHz -2.599 (194)
[(B − C)/4]10/kHz 339.0 (98)
[ϕK]10/Hz 24.97 (86)
[ϕJ]10/mHz -299.8 (219)
[d2]10/Hz 468.6 (114)
[B024]10/Hz -3.529 (146)
[h2]10/mHz -482.0 (35)
[h3]10/mHz -182.5 (126)
[(B + C)/2]11/kHz 108.9 (66)
J]11/Hz 7.58 (48)
[(B − C)/4]11/kHz 61.4 (31)
[δK]11/Hz 314.4 (182)
[A − (B + C)/2]20/kHz -298.2 (261)
K]20/kHz 2.654 (88)
[(B + C)/2]20/kHz 263.3 (59)
[δK]20/Hz 966.6 (249)

No. of transitions fit 939
No. of lines fit 719
Standard deviation (b) 1.62

Notes.

(a)

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

(b)

Weighted unitless value for the entire fit.

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