Table 2
Spectroscopic parameters of CH3SC(O)H in the RAM obtained with the BELGI-Cs program.
| nlm(a) | Operator(b) | Par.(c) | Value(d) | nlm (a) | Operator(b) | Par.(c) | Value(d) |
|---|---|---|---|---|---|---|---|
| 220 |  |
V3 | 127.4846(15) | ||||
 |
F | 5.332339(21) | (1 − cos6α)(PaPb + PbPa) | ddab | −3.4755(32) × 10−4 | ||
| 211 | PαPa | ρ | 0.03644877(22) |  |
c11 | −4.376(19) × 10−5 | |
| 202 |  |
A | 0.22208287(97) |  |
K1 | −3.546(18) × 10−7 | |
 |
B | 0.3162569(10) |  |
Mv | 2.519(39) × 10−8 | ||
 |
C | 0.119194004(55) |  |
K2 | 2.2583(42) × 10−4 | ||
| (PaPb + PbPa) | Dab | −0.08605178(54) | 624 |  |
k5J | 7.098(84) × 10−8 | |
| 440 |  |
V6 | 24.3418(94) |  |
k5K | −7.145(86) × 10−8 | |
 |
k4 | −9.832(68) × 10−4 | (1 − cos3α)P4 | fv | 8.330(78) × 10−9 | ||
| 431 |  |
k3 | 1.2310(35) × 10−4 |  |
c2J | 4.613(78) × 10−9 | |
 |
ESPOIR | −5.134(32) × 10−5 |  |
c2K | 5.023(27) × 10−8 | ||
| 422 |  |
Gv | −9.521(32) × 10−6 | (1 − cos3α)(PaPb + PbPa)P2 | dabJ | 2.639(40) × 10−8 | |
 |
c1 | −5.088(17) × 10−6 |  |
dabK | −5.188(44) × 10−8 | ||
| (1 − cos3α)P2 | Fv | −8.7206(42) × 10−4 |  |
k2J | −9.19(45) × 10−11 | ||
 |
k5 | 1.4439(14) × 10−3 | sin3αP2{Pa, Pc} | DacJ | −4.98(26) × 10−9 | ||
 |
c2 | 2.3162(44) × 10−4 | sin3αP2{Pb, Pc} | DbcJ | −3.028(26) × 10−9 | ||
| (1 − cos3α)(PaPb + PbPa) | dab | −3.47891(53) × 10−3 | 633 |  |
k3J | −3.18(17) × 10−9 | |
 |
k2 | 7.797(87) × 10−6 |  |
k3K | 1.731(29) × 10−8 | ||
 |
Δab | 5.640(27) × 10−6 |  |
c12 | 1.287(84) × 10−9 | ||
| sin3α(PaPc + PcPa) | Dac | 5.47(15) × 10−5 | 606 | P6 | HJ | −0.02220(10) × 10−12 | |
| sin3α(PbPc + PcPb) | Dbc | 1.320(12) × 10−4 |  |
HKJ | −2.112(16) × 10−12 | ||
| 413 | PαPaP2 | Lv | 3.4869(48) × 10−6 |  |
HK | 2.854(27) × 10−12 | |
 |
k1 | −3.0770(63) × 10−6 | 660 |  |
V9 | 6.567(21) | |
 |
c4 | 1.8914(18) × 10−6 |  |
k4B | −1.946(26) × 10−5 | ||
| PaPα(PaPb + PbPa) | δab | −1.7256(37) × 10−6 | 651 |  |
k3B | 4.450(17) × 10−6 | |
| 404 | − P4 | ΔJ | 1.9298(55) × 10−7 | 615 |  |
k1J | 3.776(69) × 10−11 |
 |
ΔJK | 3.590(18) × 10−7 |  |
k1K | −5.12(11) × 10−11 | ||
 |
ΔK | −5.3604(43) × 10−7 |  |
c4K | 6.54(25) × 10−12 | ||
 |
δJ | 0.7803(27) × 10−7 | 844 | (1 − cos6α)P4 | NvJ | 6.710(16) × 10−10 | |
 |
δK | 2.6080(13) × 10−7 |  |
K2J | 2.445(63) × 10−9 | ||
| (Pa Pb + Pb Pa)P2 | DabJ | 9.768(58) × 10−8 | |||||
| 642 | (1 − cos 6α)P2 | Nv | −1.6163(20) × 10−4 |
Notes. All values of these rotational constants are in cm−1, except for ρ, which is unitless. (a) 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. (b) Pa, Pb and Pc are the components of the overall rotational angular momentum. Pα is the angular momentum of the internal rotor. {u,v} is the anticommutator uv+vu. (c) 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 A, which occur in the Hamiltonian in the form 
(d) Values of the parameters from the present fit for νt = 0, 1, and 2. Statistical uncertainties are given in parentheses in units of the last quoted digits.
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