Table A.1
Spectroscopic constants of dimethyl sulfide in the quasi principal axis system obtained with the program BELGI-Cs-2Tops
| Operator a | Parameter b | BELGI-Cs-2Tops-notationc | Valued/cm-1 |
|
|
|||
|
A′ | OA | 0.68997(22) |
|
B′ | B | 0.265448(34) |
|
C′ | C | 0.19112405(21) |
| −J4 | ΔJ( × 10-6) | DJ | 0.257528(69) |
|
ΔK( × 10-5) | DK | 0.62909(29) |
|
δJ( × 10-7) | ODELN | 0.889338(89) |
|
δK( × 10-6) | ODELK | 0.35349(27) |
| J 6 | HJ( × 10-12) | HJ | 0.432(92) |
|
HK( × 10-10) | HK | 0.892(99) |
f
|
f1 = f2 | F1 | 5.72048(74) |
f
|
f1K = f2K | F1K | 0.00011269(12) |
| p α 1 p α 2 | f 12 | F12e | 0.490(12) |
f
|
V3,1 = V3,2 | V31 | 735.784(44) |
| (1−cos3α1)J2 f | V31J = V32J | V31J | −0.0028703(12) |
| (1−cos3α1) { Jx,Jz } f | V31AB = −V32AB | V31AB | 0.0g |
f
|
V31BC = V32BC | V31BC | −0.0011392(13) |
| J z p α 1 f | q1 = q2 | Q1 | 1.0749(17) |
| J z p α 1 J 2 f | q1J = q2J( × 10-5) | Q1J | −0.60494(58) |
| J x p α 1 f | r1 = −r2 | R1 | 0.33005(72) |
| sin3α1sin3α2 | V 12s | V12S | −32.86(44) |
| pα1pα2(pα1−pα2)Jx | r12p( × 10-3) | R12P | −0.3515(10) |
| pα1pα2(pα1 + pα2)Jz | q12m( × 10-4) | Q12M | 0.5419(72) |
Notes.
Notation of Eq. (6) and Table 3 of Ref. (Ohashi et al. 2004).
Value of the parameter obtained from the final least-squares fit, with one standard uncertainty given in parentheses.
F12 is named f12 in Eq. (6) of Ref. (Ohashi et al. 2004).
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