Table 3
Spectroscopic parameters (MHz) from a minimum parameter set, a full parameter set, and initial parameters along with details on the fits of the mono and doubly deuterated isotopologs of cyclopropenone.
| Parameter | Minimum | Full | Initial | |||
|---|---|---|---|---|---|---|
| HD isotopolog | ||||||
| A | 28 049 | .092 (3) | 28 049 | .090 (4) | 28 035 | .946 |
| B | 7510 | .3156 (1) | 7510 | .3156 (1) | 7509 | .008 |
| C | 5916 | .1823 (1) | 5916 | .1823 (1) | 5915 | .416 |
| DK × 103 | 46 | .16 | 45 | .95 (33) | 46 | .16 |
| DJK × 103 | 29 | .541 (3) | 29 | .541 (3) | 29 | .509 |
| DJ × 106 | 1347 | .93 (15) | 1347 | .99 (18) | 1349 | .3 |
| d1 × 106 | −412 | .68 (8) | −412 | .71 (9) | −414 | .44 |
| d2 × 106 | −180 | .56 (68) | −180 | .54 (72) | −181 | .29 |
| Jmax | 20 | (0) | 20 | (0) | ||
| Ka,max | 7 | (0) | 7 | (0) | ||
| No. trans. | 130 | (0) | 130 | (0) | ||
| No. freqs. | 126 | (0) | 126 | (0) | ||
| rms | 0 | .0126 | 0 | .0122 | ||
| wrms(a) | 0 | .817 | 0 | .815 | ||
| D2 isotopolog | ||||||
| A | 24 535 | .524 (1) | 24 535 | .521 (3) | 24 514 | .520 |
| B | 7254 | .9417 (1) | 7254 | .9422 (1) | 7252 | .557 |
| C | 5591 | .7853 (1) | 5591 | .7855 (1) | 5590 | .549 |
| DK × 103 | 30 | .37 | 30 | .20 (11) | 30 | .37 |
| DJK × 103 | 27 | .185 | 27 | .189 (1) | 27 | .185 |
| DJ × 106 | 1179 | .79 | 1180 | .35 (13) | 1179 | .8 |
| d1 × 106 | −410 | .13 (10) | −410 | .31 (11) | −412 | .33 |
| d2 × 106 | −199 | .06 (4) | −199 | .10 (5) | −200 | .75 |
| Jmax | 24 | (10) | 24 | (10) | ||
| Ka,max | 9 | (2) | 9 | (2) | ||
| No. trans. | 189 | (10) | 189 | (10) | ||
| No. freqs. | 172 | (10) | 172 | (10) | ||
| rms | 0 | .0222 | 0 | .0214 | ||
| wrms(a) | 0 | .917 | 0 | .810 | ||
Notes. Watson’s S reduction was used in the representation Ir. Numbers in parentheses of parameters are one standard deviation in units of the least significant figures. Numbers in parentheses associated with numbers of quantum numbers, transitions, and lines, respectively, refer to data from the previous study (Benson et al. 1973). Parameters without uncertainties were estimated and kept fixed in the analyses, see Sect. 5. (a) Weighted rms, unitless.
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