Table 4
Torsion-rotation parameters needed for the global fit of transitions involving vt = 0 torsional energy levels of HCO18OCH3 methyl formate.
| nlma | Operatorb | Parameter | HCO18OCH3c | nlm | Operator | Parameter | HCO18OCH3c |
|
|
|||||||
| 220 | (1 − cos3γ)/2 | V3 | 391.35594(377) | 404 | – P4 | DJ | −0.1781(240) × 10-7 |
|
F | 5.49038d |
|
DJK | –0.13188(145) × 10-5 | ||
| 211 | Pγ Pa | ρ | 0.08057980(284) |
|
DK | 0.50871(198) 10-5 | |
| 202 |
|
ARAM | 0.56177506(636) |
|
δJ | −0.4338(120) × 10-7 | |
|
BRAM | 0.30985885(512) |
|
δK | 0.2660(229) × 10-7 | ||
|
CRAM | 0.174524916(392) | P2(PaPb + PbPa) | DabJ | −0.93534(382) × 10-6 | ||
| (PaPb + PbPa) | Dab | −0.16362225(395) | ( Pb + Pb) |
DabK | 0.153543(349) × 10-5 | ||
| 422 | sin3γ (PbPc + PcPb) | Dbc | 0.00197000(784) | 624 | ( |
k5K | −0.2211(122) × 10-6 |
| (1 − cos3γ) P2 | Fv | −0.00248015(206) | 606 | P6 | HJ | 0.3554(355) × 10-12 | |
| (1 − cos3γ) |
k5 | 0.0127104(136) |
P4
|
HJK | 0.6789(118) 10-11 | ||
| (1 − cos3γ)(PaPb + PbPa) | dab | −0.00627264(369) |
|
HK | 0.52885(929) × 10-10 | ||
| 413 |
Pγ
|
k1 | 0.48356(550) 10-5 | 2P4( - ) |
hJ | 0.1855(169) × 10-12 | |
| Pγ Pa P2 | Lv | 0.17553(349) 10-5 | { ,( - )} |
hK | 0.17745(887) × 10-11 | ||
| Pγ {Pa ,( - )} |
c4 | 0.13412(118) 10-5 | P2 (Pb + Pb) |
DabJK | 0.3103(210) × 10-11 | ||
Pγ ( Pb+ Pb ) |
δab | −0.18642(438) 10-5 | P4 (PaPb + PbPa) | DabJJ | −0.17323(825) × 10-11 | ||
| 615 |
P2
Pγ
|
k1J | −0.39079(975) × 10-9 | ||||
Notes.
Notation from Ilyushin et al. (2008); n = l + m, where n is the total order of the operator, l is the order of the torsional part and m is the order of the rotational part.
Notation from Ilyushin et al. (2008). { A,B } = AB + BA. The product of the parameter and operator from a given row yields the term actually used in the vibration-rotation-torsion Hamiltonian, except for F, ρ and ARAM, which occur in the Hamiltonian in the form 
.
Value of the internal rotation constant F was kept fixed to the HCOOCH3 value from Carvajal et al. (2007).
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