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Table 2.
Spectroscopic constants for the vibrationally excited states of the EMS conformers.
| Constants/units | ν30 trans | 2ν30 trans | ν30 gauche |
|---|---|---|---|
| A/MHz | 15 813.388(23) (a) | 15 607.23(12) | 9697.268(16) |
| B/MHz | 3183.8596(17) | 3181.0961(52) | 3916.3332(26) |
| C/MHz | 2804.4605(16) | 2810.2753(16) | 3198.8601(19) |
| ΔJ/kHz | 0.7492(23) | 0.7663(26) | 3.2797(43) |
| ΔJK/kHz | −2.3967(91) | −2.3142(31) (b) | −7.567(38) |
| ΔK/kHz | 53.2(10) | 67.78(13) (b) | 33.63(40) |
| δJ/kHz | 0.121762(58) | 0.125401(29) (b) | 1.11790(35) |
| δK/kHz | 0.600(11) | 0.4194(32) (b) | 7.6065(66) |
| V3/cm−1 | 689.5(10) | – | – |
| δ(c)/rad | 0.6183(40) | – | – |
| F0/GHz | 158.376 (d) | – | – |
| σrms/kHz | 44.3 | 42.1 | 49.3 |
| Nlines | 61 | 17 | 43 |
| Jmin/Jmax | 13/45 | 13/20 | 12/38 |
| Ka, min/Ka, max | 0/4 | 0/1 | 0/7 |
Notes.
(a)
Numbers in parentheses represent the derived uncertainty (1 σ) of the parameter in units of the last digit.
(d)
Fixed to the experimental value previously determined by Hayashi et al. (1981).
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