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Table 2
Main rotational and torsion-wagging splitting parameters (all in MHz except of ρ which is unitless) of the ground torsional state of 13C and 12C methylamines.
| Parametera | 13CH3NH2 | 12CH3NH2 |
|
|
||
|
21 661.952564(88) | 22 169.36697(12) |
|
81 496.38707(41) | 80 986.38521(57) |
| B−C | 838.138853(57) | 877.88368(10) |
| ΔJ | 3.806084(18) × 10-2 | 3.946663(19) × 10-2 |
| ΔJK | 0.1668639(18) | 0.1710869(21) |
| ΔK | 0.706766(12) | 0.701310(14) |
| δ J | 1.660274(31) × 10-3 | 1.757561(60) × 10-3 |
| δ K | –0.322295(13) | –0.336039(16) |
| h2 | –1546.22791(71) | –1549.18492(70) |
| h3 | –2488.87759(96) | –2493.5110(12) |
| h4 | 2.72870(73) | 2.72760(86) |
| h5 | 2.87728(52) | 2.88853(58) |
| q2 | 21.53616(27) | 21.54649(37) |
| f2 | –9.22031(89) × 10-2 | –9.6036(16) × 10-2 |
| f3 | –0.165432(10) | –0.173725(15) |
| ρ | 0.649733019(68) | 0.649759856(98) |
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