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Table 2
Rotational and centrifugal distortion constants of ketenimine in the vibrational ground statea.
| Constants | Present work | Present work | Bane et al. (2011b) | Bane et al. (2011b) |
| single stateb | resonancec | single stateb | resonancec | |
|
|
||||
| Rotational/MHz | ||||
| A | 201 445.3567(21) | 201 445.2457(17) | 201 445.422(30) | 201 445.279(28) |
| B | 9663.139631(70) | 9663.158966(68) | 9663.14123(93) | 9663.1593(10) |
| C | 9470.119983(67) | 9470.154595(65) | 9470.12039(79) | 9470.1547(10) |
| Quartic centrifugal distortion/kHz | ||||
| D J | 2.984815(66) | 2.988570(65) | 2.98288(70) | 2.98672(66) |
| D JK | 231.7735(34)) | 129.030(15) | 232.178 (77) | 130.52 (60) |
| D K | 10 102.47(53) | 10 199.71(44) | 10 126.3 (20) | 10218.0(11) |
| d 1 | –0.0684898(39) | –0.0677700(39) | –0.06870(30) | –0.06785(30) |
| d 2 | –0.0016773(24) | 0.0003197(28) | ||
| Sextic centrifugal distortion/Hz | ||||
| H J | 0.000732(27) | 0.000715(26) | ||
| H JK | 0.9270(25) | 0.8341(24) | 1.043(35) | 0.957 (31) |
| H KJ | –261.03(45) | –242.23(29) | ||
| H K | 1530.(27) | 1162.(26) | 2516.(28) | 2178.2(77) |
| h1 × 103 | 0.0789(11) | 0.0744(11) | ||
| h2 × 103 | 0.06961(63) | 0.06573(61) | ||
| h3 × 103 | 0.00053(23) | 0.00293(22) | ||
| Octic centrifugal distortion/mHz | ||||
| L JK | 0.003264(68) | 0.002363(41) | ||
| L KKJ | –0.797(11) | –0.983(37) | ||
| L K | 6.64(49) | 7.93(48) | ||
| Coriolis/MHz | ||||
|
500.555(84) | 491.7 (49) | ||
|
705.0d | 705.0 (64) | ||
| N quadrupole coupling/MHz | ||||
| χ aa | 0.0d | 0.0d | ||
| χbb − χcc | 3.112(11) | 3.109(11) | ||
| lN spin-rotation/kHz | ||||
| C aa | 32.3(43) | 33.4(42) | ||
| Fit parameters | ||||
| σ fit | 0.754 | 0.754 | ||
| rmsmmwe/kHz | 26.2 | 25.8 | ||
| rmsFIRf/ cm-1 | 0.00049 | 0.00048 | ||
| no.of linesg | 372 | 382 | ||
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