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Table 1
Spectroscopic constants of the ground-vibrational state of mono-deuterated DME for the two different conformers.
| Parameters | Symmetric | Asymmetric | |||
| conformer | conformer | ||||
|
|
|||||
| ρ | 0.216545(71) | 0.19175(13) | |||
| β (deg) | 7. 545(9) | 9.718(24) | |||
| α (deg) | 0.0a | 0.0b | |||
| A (MHz) | 38 281.53382(35) | 34 764.30530(33) | |||
| B (MHz) | 9309.18796(13) | 9642.41649(12) | |||
| C (MHz) | 8277.96648(11) | 8537.25156(12) | |||
| ΔJ (kHz) | 7.06511(11) | 8.97763(10) | |||
| ΔJK (kHz) | −20.32475(64) | −18.29447(56) | |||
| ΔK (kHz) | 297.4899(30) | 245.4877(22) | |||
| δJ (kHz) | 1.281232(37) | 1.835770(33) | |||
| δK (kHz) | −8.9793(21) | −9.3752(32) | |||
| ΦJ (Hz) | 0.004839(35) | 0.006426(25) | |||
| ΦJK (Hz) | 0.0925(23) | 0.1800(22) | |||
| ΦKJ (Hz) | −3.2546(79) | −3.5559(73) | |||
| ΦK (Hz) | 10.078(11) | 9.5379(70) | |||
| φJ (Hz) | 0.002403(15) | 0.003130(11) | |||
| φJK (Hz) | 0.1716(15) | 0.2760(11) | |||
| φK (Hz) | 1.649(89) | 4.446(71) | |||
| ϵ1 (MHz) | −2.9882(33) | −2.5032(60) | |||
| [A − (B + C)/2] 1 (kHz) | 0.951(42) | 0.663(55) | |||
| [(B + C)/2] 1 (kHz) | −0.0281(79) | ||||
| [(B − C)/4] 1 (kHz) | 0.1349(33) | 0.1140(46) | |||
| V3c (cm) | 906. 61(75) | 905. 84(121) | |||
| Linesd | 1253 | 1286 | |||
| J(max), Ka(max) | 54, 15 | 55, 19 | |||
| Lworste | 3. 5 | −3. 8 | |||
| nf | 20 | 21 | |||
| σfitg (MHz) | 0.091 | 0. 104 | |||
| σwh | 1. 06 | 1. 12 | |||
Notes. Numbers in parentheses are one standard deviation in the same units as the last digit.
(b)
Assumed, see Sect. 4.
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