Table A.3
Comparison of the ground state spectroscopic constants of syn acrylamide obtained from different data sets (A-reduction, Ir -representation).
Data set Ia | Data set IIb | Data set IIIc | Data set IVd | |
---|---|---|---|---|
A / MHz | 10732.8296 (34)e | 10732.8220 (33) | 10732.819329 (66) | 10732.819331 (65) |
B / MHz | 4218.7012 (13) | 4218.6933 (11) | 4218.690258 (41) | 4218.690256 (41) |
C / MHz | 3030.7434 (13) | 3030.7494 (23) | 3030.752982 (33) | 3030.752979 (33) |
ΔJ / kHz | 0.7043 (33) | 0.7396 (61) | 0.786817 (13) | 0.786816 (13) |
ΔJK / kHz | 3.370 (22) | 3.467 (44) | 3.755001 (41) | 3.755014 (41) |
ΔK / kHz | 5.403 (8) | 5.458 (17) | 5.49543 (11) | 5.49540 (11) |
δJ / kHz | 0.2417 (7) | 0.2249 (11) | 0.2227674 (57) | 0.2227676 (56) |
δK / kHz | 3.20 (4) | 3.315 (81) | 3.361824 (72) | 3.361833 (72) |
ΦJ / mHz | –66 (6) | ...f | 0.1763 (16) | 0.1763 (16) |
ΦJK / mHz | –222 (34) | ...f | 1.357 (16) | 1.361 (16) |
ΦKJ / mHz | –1540 (130) | –23.17(58) | –30.829 (56) | –30.836 (56) |
ΦK / mHz | 570 (40) | 54.8(10) | 55.102 (77) | 55.087 (76) |
ϕJ / mHz | 1.70 (34) | ...f | 0.09113 (78) | 0.09118 (77) |
ϕJK / mHz | –600 (50) | ...f | 1.102 (16) | 1.104 (16) |
ϕK / mHz | 1980 (160) | ...f | 40.42 (11) | 40.43 (11) |
Jmin∕Jmax | 1 / 75 | 4 / 75 | 3 / 78 | 3 / 78 |
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0 / 37 | 0 / 37 | 0 / 33 | 0 / 37 |
N g | 354 | 172 | 2538 | 2710 |
σfit h/ MHz | 0.081 | 0.065 | 0.019 | 0.028 |
Notes. (a)Whole data set from Marstokk et al. (2000). (b)Data from Marstokk et al. (2000) when the misassigned lines and hyperfine-split lines were removed. (c)Data solely from the present work. (d)A global fit including the data from the present work and those from the second column of this table. (e)The numbers in parentheses are the parameter uncertainties in units of the last decimal digit. SPFIT/SPCAT program package (Pickett 1991) was used for the analysis. (f)Fixed to zero. (g)Number of distinct frequency lines in the fit. (h)Root mean square deviation of the fit.
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