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Table 1

Spectroscopic constants of the ground-vibrational state of doubly deuterated DME for the two different conformers.

Parameters Symmetric Asymmetric
conformer conformer
Pure Rotation
A (MHz) 31 492.87567(43) 34 199.90529(31)
B (MHz) 9226.37143(19) 8976.84575(12)
C (MHz) 8256.93333(16) 7984.12140(11)
ΔJ (kHz) 8.18522(15) 7.001791(72)
ΔJK (kHz) −6.03171(74) −12.80820(49)
ΔK (kHz) 167.2067(20) 208.1287(14)
δJ (kHz) 1.541683(51) 1.335158(25)
δK (kHz) −31.8881(24) −4.1331(15)
ΦJ (Hz) 0.007359(31) 0.003928(15)
ΦJK (Hz) 0.1469(29) 0.0908(12)
ΦKJ (Hz) −2.5745(84) −2.8404(39)
ΦK (Hz) 5.8044(60) 6.8016(32)
ϕJ (Hz) 0.003775(15) 0.001907(68)
ϕJK (Hz) 0.50088(97) 0.10031(62)
ϕK (Hz) 1.779(83) 2.857(41)
Tunneling terms
ρ 0.17032(43) 0.19123(14)
β (deg) 10.935(47) 8.718(19)
α (deg) 0.0(a) 0.0(b)
ε10 (MHz) −2.1814(73) −2.4740(42)
(kHz) 0.443(65) 0.438(49)
(kHz) 0.0626(92) 0.0805(40)
V3 (c)(102cm−1) 9.014(30) 9.044(15)
Lines fitted(d) 1451 2080
J(max), Ka(max) 88, 27 74, 25
Lworst (e) −4.4 −4.8
n (f) 20 20
σfit (gf) (MHz) 0.080 0.077
σw (h) 1.09 1.01

Notes. Numbers in parentheses are one standard deviation in the same units as the last digit. (a)By symmetry. (b)Assumed, see Sect. 4 in Richard et al. (2013). (c)Barrier height for rotation of the methyl group determined with the program BARRIER. See Sect. 4 for uncertainties regarding the computation. (d)Number of distinct lines in the fit. (e)(o. − c.)∕error of the poorest fit line. (f)Number of free parameters used in the fit. (g)Standard deviation of the fit. (h)Weighted standard deviation of the fit.

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