Table 1
Spectroscopic constants of syn acrylamide in the ground state (G.S.) and two excited vibrational states (A-reduction, Ir -representation).
| This work | Marstokk et al. (2000) | ||||||
|---|---|---|---|---|---|---|---|
| G.S. | v24 = 1 | v24 = 2 | G.S. | v24 = 1 | v24 = 2 | ||
| A / MHz | 10 732.819331 (65) (a) | 10 660.711630 (73) | 10 594.14406 (10) | 10 732.8296 (34) | 10 660.7092 (33) | 10 594.1266 (38) | |
| B / MHz | 4218.690256 (41) | 4216.462772 (50) | 4214.275015 (87) | 4218.7012 (13) | 4216.4693 (11) | 4214.2765 (14) | |
| C / MHz | 3030.752979 (33) | 3038.064954 (36) | 3044.891587 (53) | 3030.7434 (13) | 3038.0502 (17) | 3044.8733 (16) | |
| ΔJ / kHz | 0.786816 (13) | 0.804212 (16) | 0.823406 (30) | 0.7043 (33) | 0.696 (14) | 0.776 (7) | |
| ΔJK / kHz | 3.755014 (41) | 3.817382 (52) | 3.91194 (12) | 3.370 (22) | 3.15 (7) | 3.658 (31) | |
| ΔK / kHz | 5.49540 (11) | 5.17392 (12) | 5.10038 (19) | 5.403 (8) | 5.100 (24) | 5.055 (15) | |
| δJ / kHz | 0.2227676 (56) | 0.2240435 (76) | 0.224728 (17) | 0.2417 (7) | 0.2394 (26) | 0.2418 (19) | |
| δK / kHz | 3.361833 (72) | 3.33546 (10) | 3.36995 (27) | 3.20 (4) | 3.37 (7) | 3.41 (5) | |
| ΦJ / mHz | 0.1763 (16) | 0.2180 (22) | 0.4452 (56) | –66 (6) | –208 (33) | –7 (7) | |
| ΦJK / mHz | 1.361 (16) | –0.632 (24) | 1.361 (b) | –222 (34) | –2300 (400) | –650 (110) | |
| ΦKJ / mHz | –30.836 (56) | –34.835 (86) | –47.69 (10) | –1540 (130) | –3500 (500) | –570 (170) | |
| ΦK / mHz | 55.087 (76) | 44.373 (96) | 62.03 (14) | 570 (40) | 380 (40) | 110 (100) | |
| ϕJ / mHz | 0.09118 (77) | 0.0947 (11) | 0.2032 (30) | 1.70 (34) | –2.2 (4) | –10.7 (26) | |
| ϕJK / mHz | 1.104 (16) | 1.065 (23) | 3.558 (56) | –600 (50) | –740 (120) | 640 (130) | |
| ϕK / mHz | 40.43 (11) | 17.00 (18) | 31.43 (27) | 1980 (160) | –1850 (170) | 400 (340) | |
| Jmin∕Jmax | 3 / 78 | 4 / 78 | 2 / 78 | 1 / 75 | 1 / 68 | 2 / 64 | |
 |
0 / 37 | 0 / 38 | 0 / 37 | 0 / 37 | 0 / 40 | 0 / 39 | |
| N (c) | 2710 | 2242 | 1599 | 354 | 322 | 317 | |
| σfit (d)/ MHz | 0.028 | 0.024 | 0.035 | 0.081 | 0.063 | 0.090 | |
| σw (e) | 0.93 | 0.98 | 0.98 | ... | ... | ... | |
Notes. (a) The numbers in parentheses are the parameter uncertainties in units of the last decimal digit. Their values are close to 1σ standard uncertainties (67% confidence level) because the unitless (weighted) deviation of the fit is close to 1.0. SPFIT/SPCAT program package (Pickett 1991) was used for the analysis. (b)Fixed to the ground state value which is usually a preferred constraint against the zero or poorly determined value (Urban & Sarka 1990; Koucký et al. 2013). (c)Number of distinct frequency lines in the fit. (d)Root mean square deviation of the fit. (e)Unitless (weighted) deviation of the fit.
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