Open Access
Table 1.
Spectroscopic parameters of H2CCCN (all in MHz).
| Parameter | ortho-H2CCCN | para-H2CCCN | Theoretical (a) |
|---|---|---|---|
| A | [158105.0] (b) | [158105.0] | 158105.0 |
| (B + C)/2 | 4365.86049(12) (c) | 4365.30705(21) | 4382.2 |
| B − C | [120.0] | [120.0] | 120.0 |
| ΔN | 0.0009124(48) | 0.0015943(86) | 0.00182 |
| ΔNK | [−0.338] | [−0.338] | −0.338 |
| ΔK | [39.10] | [39.10] | 39.10 |
| δN | [0.000276] | [0.000276] | 0.000276 |
| δK | [0.430] | [0.430] | 0.430 |
| εaa | [278.0] | [278.0] | 278.0 |
| εbb | [0.489] | [0.489] | 0.489 |
| εcc | −12.42269(86) | −12.83977(91) | −10.3 |
 |
9.58207(87) | 9.50926(99) | 2.71 |
 |
−14.4086(17) | −14.3071(15) | −15.8 |
 |
[26.3] | [26.3] | 26.3 |
 |
−4.0506(19) | −4.0606(32) | −4.43 |
 |
[2.18] | [2.18] | 2.18 |
 |
131.627(89) | − | 117.7 |
 |
6.4816(16) | − | 6.82 |
 |
[−1.97] | − | −1.97 |
| Nlines | 137 | 36 | − |
| rms/kHz | 2.9 | 2.6 | − |
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