Table 5
Torsion-rotation parameters needed for the global fit of transitions involving vt = 0 torsional energy levels of HC18OOCH3 methyl formate.
| nlma | Operatorb | Parameter | HC18OOCH3c | nlm | Operator | Parameter | HC18OOCH3c |
|
|
|||||||
| 220 | (1 − cos3γ) / 2 | V3 | 391.56929 (646) | 404 | −P4 | DJ | 0.2097(211) × 10-7 |
|
F | 5.49038d | −P2 |
DJK | −0.180042(857) × 10-5 | ||
| 211 | Pγ Pa | ρ | 0.07977981(403) |
|
DK | 0.532763(931) × 10-5 | |
| 202 |
|
ARAM | 0.56776348 (810) |  ) |
δJ | −0.2519(106) × 10-7 | |
|
BRAM | 0.30216119(677) |  ,( |
δK | −0.35754(981) × 10-7 | ||
|
CRAM | 0.170313544(770) | P2 (PaPb + PbPa) | DabJ | −0.90979(301) × 10-6 | ||
| (PaPb + PbPa) | Dab | −0.16731097(526) |
|
DabK | 0.144807(244) × 10-5 | ||
| 422 | sin3γ(PbPc + PcPb) | Dbc | 0.0017299(105) | 624 | (1 − cos3γ)P2 |
k5J | −0.14491(670) × 10-6 |
|
|
k2 | 0.35429(548) 10-4 |
P
2
|
k2J | −0.28717(908) × 10-8 | ||
| (1 − cos3γ) P2 | F v | −0.00203120(379) | 606 |
P
4
|
HJK | 0.6870(113) × 10-11 | |
| (1 − cos3γ) |
k5 | 0.0140399(189) |
P
2
|
H KJ | −0.23719(718) × 10-10 | ||
| (1 − cos3γ)(PaPb + PbPa) | dab | −0.00613830(453) |
|
H K | 0.68402(464) × 10-10 | ||
|
P
2
|
G V | 0.118883(538) 10-4 | 2P4( ) |
h J | 0.935(9) × 10-14 | ||
| 413 |  )} |
c 4 | 0.11880(160) 10-5 | P2 ( ) |
D abJK | 0.5012(136) × 10-11 | |
|
δ ab | −0.21412 (315) 10-5 | P4 (PaPb + PbPa) | D abJJ | −0.8718(390) × 10-12 | ||
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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