Table A.1.
Experimental spectroscopic parameters for the ground vibrational state of maleonitrile
| Parameter / Unit | This work a | This work HFS b | Halter et al. (2001) |
|---|---|---|---|
| A / MHz | 7389.5215(14) | 7389.51061(35) | 7389.5090(7) |
| B / MHz | 2672.59327(85) | 2672.59436(11) | 2672.5944(7) |
| C / MHz | 1959.52286(91) | 1959.52222(12) | 1959.5221(12) |
| ΔJ / kHz | 3.2566(16) | 3.25637(37) | 3.258(7) |
| ΔJK / kHz | −21.6019(19) | −21.59241(82) | −21.51(23) |
| ΔK / kHz | 46.324(22) | 46.1525(56) | 45.7(4) |
| δJ / kHz | 1.18701(14) | 1.187996(38) | 1.190(3) |
| δK / kHz | 3.7917(28) | 3.7715(13) | 3.7(5) |
| ΦJ / Hz | 0.0176(10) | 0.01710(33) | |
| ΦJK / Hz | −0.0532(39) | −0.0271(25) | |
| ΦKJ / Hz | −0.487(14) | −0.4821(77) | |
| ΦK / Hz | 2.98(16) | 1.951(44) | |
| ϕJ / Hz | 0.007386(90) | 0.008079(46) | |
| ϕJK / Hz | 0.0346(33) | 0.0117(20) | |
| ϕK / Hz | 0.404(28) | 0.602(18) | |
| LJK / mHz | 0.088(10) | 0.0462(17) | |
| LK / mHz | −4.62(48) | −2.65(14) | |
| lJK / mHz | 0.0312(55) | – | |
| χaa / MHz | – | 0.0598(19) | 0.0579(15) |
| (χbb − χcc) / MHz | – | −4.6868(30) | −4.688(2) |
| σfit / kHz | 41.1 | 27.5 | 2.8 |
| Nlines | 537 | 4793 | 152 |
| Jmin/Jmax | 6/69 | 0/69 | 0/5 |
| Ka, min/Ka, max | 0/16 | 0/16 | 0/3 |
a Ground state analysis without taking the hyperfine structure into consideration. In the case of observable splitting, the central frequency is used. b Ground state analysis taking all hyperfine components into consideration, including those overlapped and the data from Halter et al. (2001) up to 14 GHz.
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