Table 2
Spectroscopic constants determined for the v13 = 1 and v21 = 1 resonant states and for the v20 = 1 unperturbed state of trans-propargylamine.
| v13 = 1 (A′) | v21 = 1 (A″) | v20 = 1 (A″) | |
|---|---|---|---|
| A / MHz | 29635.85(21)a | 29739.68(21) | 29568.8450(25) |
| [29367.66] | [30198.79] | [29648.13] | |
| B / MHz | 4609.09672(13) | 4602.91017(15) | 4598.017005(74) |
| [4607.65] | [4599.21] | [4594.94] | |
| C / MHz | 4165.82510(13) | 4164.12227(14) | 4165.627208(76) |
| [4165.26] | [4163.01] | [4163.91] | |
| DJ / kHz | 2.66689(13) | 2.693125(90) | 2.691875(43) |
| DJK / kHz | −49.4855(41) | −51.5737(38) | −51.8353(16) |
| DK / kHz | 650.1(10) | 847.29(40) | 738.53(27) |
| d1 / kHz | −0.612076(27) | −0.615077(74) | −0.612384(32) |
| d2 / kHz | −0.032100(18) | −0.028371(17) | −0.025814(13) |
| HJ / Hz | 0.007815(58) | 0.007855(39) | 0.0078933b |
| HJK / Hz | −0.1241(21) | −0.11743b | −0.11743b |
| h1 / mHz | 3.2324b | 3.271(34) | 3.2324b |
| χaa / MHz | −3.0146b | −2.823(37) | −3.0146b |
| χbb − χcc / MHz | −0.1519b | −0.1519b | −0.1519b |
| No. linesc | 123 | 135 | 96 |
| ΔEd / MHz | 881366.4(68) | ||
| Ga / MHz | 18734.3(51) | ||
 / kHz |
33.0e | ||
 / kHz |
−0.03563(88) | ||
| σrms / kHz | 13.1 | 20.0 | |
| σfit | 0.492 | 0.495 | |
Notes. (a) The quantities in parentheses are standarderrors (1σ) in units of the last quoted digit. Theoretical values are given between squared brackets. (b)Parameter fixed at the ground-state value, likewise for the sextic centrifugal distortion constants not explicitly reported in this table. (c)Number of distinct line frequencies analyzed for each vibrational state. (d)Vibrational energy difference between the v21 = 1 upper state and the v13 = 1 lower state. (e)Parameter fixed at the value obtained for aminoacetonitrile (Degli Esposti et al. 2017).
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