Table 1
Present and previous experimental spectroscopic parameters (MHz) of the main isotopologue of isobutene and details of the fits.
| Parameters | |
|---|---|
| Previous work(a) | |
| A /MHz | 9133.31(3) |
| B /MHz | 8381.80(3) |
| C /MHz | 4615.97(2) |
| This work(b) | |
| A /MHz | 9133.36452 (12) |
| B /MHz | 8381.87456 (12) |
| C /MHz | 4615.97690 (11) |
| ΔK /kHz | 9.09875 (12) |
| ΔJK /kHz | −5.46233 (12) |
| ΔJ /kHz | 4.57324 (14) |
| δK /kHz | 1.585116 (57) |
| δJ /kHz | 1.971182 (29) |
| ΦK /mHz | 104.63 (11) |
| ΦKJ /mHz | −101.68 (11) |
| ΦJK /mHz | 12. 408 (74) |
| ΦJ /mHz | 6.394 (60) |
| ϕK /mHz | −0.960 (40) |
| ϕJK /mHz | 14.369 (38) |
| ϕJ /mHz | 3.280 (10) |
| ϵ10 /MHz | −3.2257 (12) |
| [(B – C)/4]10 /kHz | 0.0352 (15) |
| ρ × 10−3 | 55.8678 (23) |
| ß / ° | 29.506 (17) |
| No. of lines | 3751 |
| No. of transitions | 1176 |
| Standard deviation(c) | 0.98 |
| Microwave rms /kHz | 26.514 |
Notes. (a)Demaison & Rudolph (1975). (b)Watson’s A reduction in the Ir representation is used in ERHAM. Numbers in parentheses are one standard deviation in units of the least significant figures. The first block shows rotational and centrifugal distortion constants, and the second and third blocks show ERHAM tunnelling parameters and geometrical values, respectively. The bottom row contains general information about the fits. (c)Weighted unitless value for the respective single state fit.
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