Table A.2.
Comparison of the low-order parameters of CH3SD and CH3SH.
| ntra | Operatorb | Par.c,d | CH3SDe | CH3SHe,f |
|---|---|---|---|---|
| 22, 0 |  |
F | 10.3520639(31) | 15.04020465(66) |
| 22, 0 | (1/2)(1 − cos 3α) | V3 | 435.42500(24) | 441.442236(10) |
| 21, 1 | pαPa | ρ | 0.493517098(11) | 0.651856026(13) |
| 20, 2 |  |
A | 2.59513758(20) | 3.42808445(84) |
| 20, 2 |  |
B | 0.42517153(13) | 0.43201954(87) |
| 20, 2 |  |
C | 0.39176839(13) | 0.41325076(83) |
| 20, 2 | {Pa, Pb} | Dab | 0.0053655(12) | −0.0073126(59) |
| 44, 0 | (1/2)(1 − cos 6α) | V6 | −0.86918(20) | −0.572786(15) |
| 44, 0 |  |
Fm | −0.38535(20)×10−3 | −0.114016(10)×10−2 |
| 43, 1 |  Pa |
ρm | −0.93969(42)×10−3 | −0.360009(28)×10−2 |
| 42, 2 | P2(1 − cos 3α) | V3J | −0.19405784(64)×10−2 | −0.217540(84)×10−2 |
| 42, 2 | (1 − cos 3α) | V3K | 0.685147(15)×10−2 | 0.724978(19)×10−2 |
| 42, 2 | ( −  )(1 − cos 3α) |
V3bc | −0.15679(13)×10−3 | −0.92104(47)×10−4 |
| 42, 2 | {Pa, Pb}(1 − cos 3α) | V3ab | 0.443895(41)×10−2 | 0.61562(30)×10−2 |
| 42, 2 |  P2 |
FJ | −0.2823067(53)×10−4 | −0.8106(38)×10−4 |
| 42, 2 |   |
FK | −0.123322(32)×10−2 | −0.483287(30)×10−2 |
| 42, 2 |  {Pa, Pb} |
Fab | 0.7807(70)×10−4 | 0.843(45)×10−4 |
| 42, 2 | 2 ( −  ) |
Fbc | 0.102769(43)×10−4 | 0.0536(41)×10−4 |
| 42, 2 | {Pa, Pc}sin3α | D3ac | 0.11336(45)×10−1 | 0.1036(15)×10−1 |
| 42, 2 | {Pb, Pc}sin3α | D3bc | 0.140496(27)×10−2 | 0.665(14)×10−3 |
| 41, 3 | pαPaP2 | ρJ | −0.369536(28)×10−4 | −0.4726(54)×10−4 |
| 41, 3 | pα |
ρK | −0.75792(11)×10−3 | −0.30381(74)×10−2 |
| 41, 3 | pα{ , Pb} |
ρab | 0.1017(10)×10−3 | 0.999(67)×10−4 |
| 41, 3 | pα{Pa, ( −  )} |
ρbc | − | −0.0462(39)×10−4 |
| 40, 4 | −P4 | ΔJ | 0.4876778(87)×10−6 | 0.538140(23)×10−6 |
| 40, 4 | −P2 |
ΔJK | 0.143777(64)×10−4 | −0.066(26)×10−5 |
| 40, 4 | − |
ΔK | 0.178662(17)×10−3 | 0.7425(48)×10−3 |
| 40, 4 | −2P2( −  ) |
δJ | 0.384636(10)×10−7 | 0.224788(88)×10−7 |
| 40, 4 | −{ , ( −  )} |
δK | 0.090811(35)×10−4 | 0.10483(32)×10−4 |
| 40, 4 | P2{Pa, Pb} | DabJ | − | −0.956(60)×10−7 |
| 40, 4 | { , Pb} |
DabK | 0.2750(34)×10−4 | 0.202(23)×10−4 |
| θRAM | 0.14° | −0.14° |
Notes.
n=t+r, where n is the total order of the operator, t is the order of the torsional part and r is the order of the rotational part, respectively. The ordering scheme of Nakagawa et al. (1987) is used.
{A,B,C,D} = ABCD + DCBA. {A,B,C} = ABC + CBA. {A,B} = AB + BA. The product of the operator in the first column of a given row and the parameter in the third column of that row gives the term actually used in the torsion-rotation Hamiltonian of the program, except for F, ρ and ARAM, which occur in the Hamiltonian in the form F(pa + ρPa)2 + ARAM
.
Parameter nomenclature is based on the subscript procedure of Xu et al. (2008).
Values of the parameters in inverse centimeters, except for ρ, which is unitless, and for θRAM in degrees.
Statistical uncertainties are given in parentheses as one standard uncertainty in units of the last digits.
Not all the parameters used for the analysis in Xu et al. (2012) listed here.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.