Open Access
Table 1.
Spectroscopic parameters of propynethial in MHz – S reduction.
| Parameter | This work (a) | Brown et al. (b) | Crabtree et al. (c) |
|---|---|---|---|
| A | 42652.03185 (40) (d) | 42652.0294 (43) | 42647.85212 (85) |
| B | 3109.382386 (28) | 3109.38236 (29) | 3109.38225 (15) |
| C | 2894.265480 (28) | 2894.26592 (40) | 2894.26559 (20) |
| DJ × 103 | 1.1298295 (90) | 1.1282 (18) | 1.1408 (18) |
| DJK × 103 | −104.85202 (18) | −104.776 (65) | −105.140 (58) |
| DK × 103 | 4175.501 (13) | 4168.8 (11) | |
| d1 × 103 | −0.2110838 (23) | −0.20997 (62) | −0.2110 (16) |
| d2 × 103 | −0.00553372 (66) | −0.00621 (60) | |
| HJ × 106 | 0.0025203 (11) | ||
| HJK × 106 | −0.150948 (27) | ||
| HKJ × 106 | −21.5143 (21) | −18.3 (30) | |
| HK × 106 | 1221.05 (19) | ||
| h1 × 109 | 0.864444 (40) | ||
| h2 × 109 | 0.04881 (19) | ||
| h3 × 109 | 0.014484 (16) | ||
| LJ × 1012 | −0.007289 (45) | ||
| LJJK × 1012 | 0.3320 (16) | ||
| LJK × 1012 | −6.50 (19) | ||
| LKKJ × 109 | 7.5537 (67) | ||
| LK × 109 | −464.2 (12) | ||
| l1 × 1015 | −2.984 (21) | ||
| l2 × 1015 | −0.189 (13) | ||
| l4 × 1015 | −0.0579 (72) | ||
| PKJ × 1012 | −0.01525 (42) | ||
| PKKJ × 1012 | −2.1714 (65) | ||
| PK × 1012 | 160.6 (25) | ||
| Number of distinct lines | 3288 | 53 | 24 |
| Standard deviation of the fit (in kHz) | 26.7 | 8.9 | 1.4 |
| FMax (in GHz) | 630 | 40 | 52 |
| JMax, Ka, Max | 107, 24 | 20, 5 | 6, 1 |
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