Table B.1
Excerpt the line-list for DMS in the microwave and millimeter wave range.
| Upper state | Lower state | |||||||||||||
| ν11, ν 15 a | J′ |
|
|
ν 11 , ν 15 a | J ′′ |
|
|
Freq. Obs.b | Freq. Cal.c | Obs.-Calc.d | S.μ2e | E ′ f | E ′′ g | Sym.h |
| MHz | MHz | MHz | Debye2 | cm-1 | cm-1 | |||||||||
|
|
||||||||||||||
| 00 | 1 | 1 | 0 | 00 | 1 | 0 | 1 | 12092.195(5) | 12092.189(0.001) | 0.005 | 3.36963 | 188.4777 | 188.0743 | AA |
| 00 | 3 | 1 | 2 | 00 | 2 | 2 | 1 | 12142.837(5) | 12142.829(0.003) | 0.007 | 0.51223 | 190.8556 | 190.4506 | AA |
| 00 | 2 | 1 | 1 | 00 | 2 | 0 | 2 | 14238.141(5) | 14238.143(0.001) | –0.002 | 5.12130 | 189.4310 | 188.9561 | AA |
| 00 | 2 | 0 | 2 | 00 | 1 | 1 | 1 | 16246.124(5) | 16246.126(0.001) | –0.002 | 1.42005 | 188.9561 | 188.4142 | AA |
| 00 | 7 | 1 | 7 | 00 | 6 | 2 | 4 | 16647.908(5) | 16647.905(0.006) | 0.003 | 0.33685 | 199.3997 | 198.8444 | AA |
| 00 | 7 | 3 | 5 | 00 | 6 | 4 | 2 | 16892.018(5) | 16892.015(0.005) | 0.004 | 1.01264 | 203.5346 | 202.9712 | AA |
| 00 | 5 | 2 | 3 | 00 | 4 | 3 | 2 | 17073.756(5) | 17073.754(0.004) | 0.001 | 0.76068 | 196.0117 | 195.4422 | AA |
| 00 | 1 | –1 | 0 | 00 | 1 | 0 | 1 | 12091.718(5) | 12091.715(0.001) | 0.003 | 3.36962 | 188.4786 | 188.0752 | AE |
| 00 | 1 | –1 | 0 | 00 | 1 | 0 | 1 | 12091.711(5) | 12091.711(0.001) | 0.000 | 3.36962 | 188.4786 | 188.0752 | EA |
| 00 | 1 | –1 | 0 | 00 | 1 | 0 | 1 | 12091.956(5) | 12091.951(0.001) | 0.005 | 3.36962 | 188.4781 | 188.0748 | EE |
| 00 | 3 | –1 | 2 | 00 | 2 | 2 | 1 | 12143.376(5) | 12143.376(0.003) | 0.001 | 0.51216 | 190.8561 | 190.4510 | EE |
| 00 | 3 | –1 | 2 | 00 | 2 | 2 | 1 | 12143.857(5) | 12143.853(0.003) | 0.004 | 0.51223 | 190.8565 | 190.4514 | EA |
| 00 | 3 | –1 | 2 | 00 | 2 | 2 | 1 | 12143.995(5) | 12143.991(0.003) | 0.004 | 0.51194 | 190.8565 | 190.4514 | AE |
| 00 | 2 | –1 | 1 | 00 | 2 | 0 | 2 | 14237.612(5) | 14237.608(0.001) | 0.004 | 5.12129 | 189.4319 | 188.9570 | EA |
| 00 | 2 | –1 | 1 | 00 | 2 | 0 | 2 | 14237.872(5) | 14237.876(0.001) | –0.003 | 5.12129 | 189.4315 | 188.9566 | EE |
| Excited torsional state | ||||||||||||||
| 10 | 1 | 1 | 0 | 10 | 1 | 0 | 1 | 12116.970(50) | 12117.043 | –0.073 | 3.35906 | 365.8830 | 365.4788 | AA |
| 10 | 2 | 1 | 1 | 10 | 2 | 0 | 2 | 14244.700(50) | 14244.737 | –0.037 | 5.11035 | 366.8327 | 366.3575 | AA |
| 10 | 3 | 1 | 2 | 10 | 3 | 0 | 3 | 17848.180(50) | 17848.161 | 0.019 | 6.18584 | 368.2519 | 367.6565 | AA |
| 10 | 4 | 1 | 3 | 10 | 4 | 0 | 4 | 23273.800(50) | 23273.731 | 0.069 | 6.53779 | 370.1332 | 369.3569 | AA |
| 10 | 5 | 1 | 4 | 10 | 5 | 0 | 5 | 30676.160(50) | 30676.185 | –0.025 | 6.38600 | 372.4657 | 371.4424 | AA |
| 10 | 1 | 1 | 1 | 10 | 0 | 0 | 0 | 23518.560(50) | 23518.591 | –0.031 | 2.23936 | 365.8200 | 365.0355 | AA |
| 01 | 1 | 1 | 0 | 01 | 1 | 0 | 1 | 12120.970(50) | 12120.976 | –0.006 | 3.36960 | 372.0480 | 371.6437 | AA |
| 01 | 2 | 1 | 1 | 01 | 2 | 0 | 2 | 14215.880(50) | 14215.905 | –0.025 | 5.13400 | 372.9964 | 372.5222 | AA |
| 01 | 3 | 1 | 2 | 01 | 3 | 0 | 3 | 17758.970(50) | 17759.065 | –0.095 | 6.22940 | 374.4139 | 373.8215 | AA |
| 01 | 4 | 1 | 3 | 01 | 4 | 0 | 4 | 23091.000(50) | 23091.042 | –0.042 | 6.60280 | 376.2933 | 375.5231 | AA |
Notes. The table includes: assignments, observed frequencies, calculated frequencies from the BELGI-Cs-2Tops fit, residuals, line strengths, upper and lower state energy levels for dimethyl sulfide CH3SCH3 transitions from (ν11,ν15 = 0,0) (ground state), (ν11,ν15 = 1,0) and (ν11,ν15 = 0,1) (first excited torsional state) included in the fit with parameters of Appendix A. To obtain intensities, the line strengths need to be multiplied by appropriate statistical weights, the Boltzmann factor and divided by the total partition function (see Appendix D). The spin-weight statistics AA: EE: AE: EA depend on the parity of KaKc, i.e., 6:16:4:2 for KaKc: ee-oo and 10:16:4:6 for KaKc: eo-oe (Vacherand et al. 1987).
Upper and lower state quantum numbers are indicated by “and”, respectively. Energy levels of the EA, AE and EE species have a signed Ka value (Herbst et al. 1984).
Observed ground state (ν11,ν15 = 0,0) as well as excited torsional states (ν11,ν15 = 1,0) and (ν11,ν15 = 0,1) transitions in MHz with estimated uncertainties in parentheses (in kHz). Estimated experimental uncertainty are given according to the source of data. 5 kHz: MB-FTMW Aachen; 40 kHz: millimeter-wave Aachen; 100 kHz: (Vacherand et al. 1987); 50 kHz: millimeter-wave (Niide & Hayashi 2004).
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.