Table A.1
Assignments, observed frequencies, and calculated frequencies from the RAM fit, residuals, line strengths, and lower energy levels for methyl formate (HCOO13CH3) microwave transitions from vt = 0 and vt = 1 torsional states included in the fit with parameters of Table 2.
| Upper statea | Lower statea | ||||||||||||||
|
J ′ |
|
|
p ′ |
|
J ′′ |
|
|
p ′′ | Obs. Freq. (Unc.)b | Calc. Freq (Unc.)c | Obs.-Calcd | S(i → f)e | Lower energyf | Refg |
|
|
|||||||||||||||
| 1 | 50 | 0 | 50 | + | 1 | 49 | 0 | 49 | + | 519 745.410(30) | 519 745.377(5) | 0.033 | 137.102 | 560.0328 | NEW B |
| 1 | 51 | 0 | 51 | + | 1 | 50 | 0 | 50 | + | 530 000.398(30) | 530 000.382(5) | 0.016 | 22.972 | 577.3696 | NEW B |
| 1 | 52 | 0 | 52 | + | 1 | 51 | 0 | 51 | + | 540 252.626(30) | 540 252.652(5) | –0.026 | 153.599 | 595.0485 | NEW B |
| 1 | 53 | 0 | 53 | + | 1 | 52 | 0 | 52 | + | 550 502.111(30) | 550 502.133(6) | –0.022 | 154.358 | 613.0694 | NEW B |
| 1 | 54 | 0 | 54 | + | 1 | 53 | 0 | 53 | + | 560 748.773(30) | 560 748.773(6) | 0.000 | 137.761 | 631.4322 | NEW B |
| 1 | 55 | 0 | 55 | + | 1 | 54 | 0 | 54 | + | 570 992.521(30) | 570 992.518(7) | 0.003 | 148.615 | 650.1368 | NEW B |
| 1 | 56 | 0 | 56 | + | 1 | 55 | 0 | 55 | + | 581 233.298(30) | 581 233.318(7) | –0.020 | 35.289 | 669.1830 | NEW B |
| 1 | 57 | 0 | 57 | + | 1 | 56 | 0 | 56 | + | 591 471.082(30) | 591 471.118(8) | –0.036 | 181.673 | 688.5709 | NEW B |
| 1 | 58 | 0 | 58 | + | 1 | 57 | 0 | 57 | + | 601 705.819(30) | 601 705.866(9) | –0.047 | 184.679 | 708.3002 | NEW B |
| 1 | 59 | 0 | 59 | + | 1 | 58 | 0 | 58 | + | 611 937.436(30) | 611 937.510(10) | –0.074 | 187.823 | 728.3710 | NEW B |
| 1 | 60 | 0 | 60 | + | 1 | 59 | 0 | 59 | + | 622 165.944(30) | 622 165.996(11) | –0.052 | 190.689 | 748.7830 | NEW B |
| 1 | 50 | 0 | 50 | 1 | 49 | 0 | 49 | 519 732.280(30) | 519 732.271(5) | 0.009 | 159.484 | 559.5257 | NEW B | ||
| 1 | 51 | 0 | 51 | 1 | 50 | 0 | 50 | 529 985.311(30) | 529 985.287(6) | 0.024 | 161.679 | 576.8621 | NEW B | ||
| 1 | 52 | 0 | 52 | 1 | 51 | 0 | 51 | 540 235.593(30) | 540 235.566(6) | 0.027 | 122.669 | 594.5405 | NEW B | ||
| 1 | 53 | 0 | 53 | 1 | 52 | 0 | 52 | 550 483.081(30) | 550 483.060(6) | 0.021 | 114.755 | 612.5608 | NEW B | ||
| 1 | 54 | 0 | 54 | 1 | 53 | 0 | 53 | 560 727.716(30) | 560 727.709(6) | 0.007 | 172.372 | 630.9230 | NEW B | ||
| 1 | 55 | 0 | 55 | 1 | 54 | 0 | 54 | 570 969.450(30) | 570 969.463(7) | –0.013 | 175.587 | 649.6268 | NEW B | ||
| 1 | 56 | 0 | 56 | 1 | 55 | 0 | 55 | 581 208.238(30) | 581 208.268(7) | –0.030 | 178.795 | 668.6723 | NEW B | ||
| 1 | 57 | 0 | 57 | 1 | 56 | 0 | 56 | 591 444.057(30) | 591 444.072(8) | –0.015 | 182.011 | 688.0593 | NEW B | ||
| 1 | 58 | 0 | 58 | 1 | 57 | 0 | 57 | 601 676.811(30) | 601 676.819(9) | –0.008 | 185.223 | 707.7878 | NEW B | ||
| 1 | 59 | 0 | 59 | 1 | 58 | 0 | 58 | 611 906.456(30) | 611 906.456(9) | 0.000 | 188.431 | 727.8576 | NEW B | ||
| 1 | 60 | 0 | 60 | 1 | 59 | 0 | 59 | 622 132.891(30) | 622 132.935(10) | –0.044 | 191.656 | 748.2686 | NEW B | ||
Notes.
Upper and lower state quantum numbers are indicated by ′ and ′′ respectively. Torsion-rotation levels of A species have a “parity” label; levels of E species have a signed Ka value (Herbst et al. 1984).
Observed vt = 0 and 1 microwave transitions in MHz, with estimated uncertainties in parentheses (in kHz).
Calculated line strengths in D**2 (for details of the calculation procedure, see Sect. 4).
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