Table 1
Spectroscopic parameters or differences (Δ) thereofa of methyl cyanide isotopologs within ν8 = 1.
| Parameter | CH3CNb | CH CNc |
13CH3CNc | CH3C15Nc | ||||
|
|
||||||||
| E(81) | 365.024 365 (9) | 357.19 | 364.56 | 362.41 | ||||
| Δ(A−B) | −115.930 (26) | −115.930 | −115.930 | −115.930 | ||||
| ΔB | 27.530 277 (49) | 26.404 860 (112) | 26.688 102 (131) | 26.865 362 (274) | ||||
| ΔDK × 103 | −11.46 (48) | −11.46 | −11.46 | −11.46 | ||||
| ΔDJK × 103 | 0.987 5 (6) | 0.881 1 (24) | 0.945 3 (26) | 1.008 2 (50) | ||||
| ΔDJ × 106 | 95.599 (17) | 92.585 (52) | 90.693 (41) | 90.608 (60) | ||||
| ΔHK × 106 | 14.9 (22) | 15. | 15. | 15. | ||||
| ΔHKJ × 106 | 0.034 1 (22) | 0.034 | 0.033 | 0.033 | ||||
| ΔHJK × 109 | 2.59 (6) | 2.54 | 2.44 | 2.43 | ||||
| ΔHJ × 1012 | 315.3 (30) | 307.3 (74) | 278.6 (56) | 293.6 (82) | ||||
| ΔLJ × 1015 | −2.64 (20) | −2.54 | −2.35 | −2.30 | ||||
| ΔeQq | −0.038 7 (19) | −0.038 7 | −0.038 7 | n.a. | ||||
| eQqη | 0.1519 (113) | 0.1519 | 0.1519 | n.a. | ||||
| Aζ | 138 656.20 (7) | 139 839.99 (39) | 138 857.97 (53) | 138 554.93 (105) | ||||
| ηK | 10.332 9 (72) | 10.420 | 10.347 | 10.317 | ||||
| ηJ | 0.390 469 (7) | 0.389 261 (24) | 0.371 764 (23) | 0.368 215 (34) | ||||
| ηKK × 106 | −834. (41) | −840. | −835. | −833. | ||||
| ηJK × 106 | −34.06 (6) | −32.42 (44) | −32.87 (40) | −32.27 (60) | ||||
| ηJJ × 106 | −2.359 5 (24) | −2.275 0 (52) | −2.147 1 (49) | −2.173 6 (38) | ||||
| ηJKK × 109 | 2.59 (17) | 2.6 | 2.5 | 2.5 | ||||
| ηJJK × 109 | 0.509 (6) | 0.542 (69) | 0.425 (70) | 0.478 | ||||
| q | 17.798 44 (2) | 18.212 58 (33) | 16.804 42 (35) | 16.860 30 (55) | ||||
| qK × 103 | −2.664 5 (111) | −2.726 | −2.516 | −2.524 | ||||
| qJ × 106 | −63.842 (14) | −64.581 (175) | −58.745 (164) | −58.664 (248) | ||||
| qJK × 109 | 93.19 (53) | 95.2 | 85.4 | 85.6 | ||||
| qJJ × 1012 | 311.5 (15) | 304.8 (252) | 301.0 (218) | 257.3 (327) | ||||
| rms error | 0.802 | 0.808 | 0.766 | 0.826 | ||||
Notes.
All parameters in MHz units except E(81) in cm-1; the rms errors of the fits are unitless. Numbers in parentheses are one standard deviation in units of the least significant figures. Parameters without quoted uncertainties were estimated and kept fixed in the analyses; see also Sect. 3.
From Müller et al. (2015).
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