Open Access
Table 1.
Ground-state rotational constants of parent, 34S, 13C, and 15N isotopic species of thioformamide.
| S-reduction |
A-reduction |
|||||
|---|---|---|---|---|---|---|
| Parameters | Parent | Parameters | Parent | H2NCH34S | H2N13CHS | H NCHS |
| A (MHz) | 61754.8040(80) (a) | A (MHz) | 61754.8024(81) | 61632.104(56) | 60002.038(75) | 61319.746(96) |
| B (MHz) | 6101.76611(14) | B (MHz) | 6101.80024(14) | 5952.38931(27) | 6085.09318(38) | 5919.64877(56) |
| C (MHz) | 5549.86284(13) | C (MHz) | 5549.82889(13) | 5424.98705(26) | 5521.38188(34) | 5395.37815(56) |
| DJ (kHz) | 2.559762(22) | ΔJ (kHz) | 2.601528(25) | 2.483353(41) | 2.561801(64) | 2.470969(87) |
| DJK (kHz) | −48.89300(51) | ΔJK (kHz) | −49.14361(51) | −48.1177(11) | −47.6244(13) | −48.9717(24) |
| DK (kHz) | 1508.12(41) | ΔK (kHz) | 1508.26(42) | 1522.0(31) | 1490.7(37) | 1513.4(57) |
| d1 (kHz) | −0.379115(39) | δJ (kHz) | 0.379174(36) | 0.354556(60) | 0.384478(83) | 0.35373(14) |
| d2 (kHz) | −0.020822(17) | δK (kHz) | 16.9294(35) | 16.362(10) | 16.757(13) | 15.975(21) |
| HJ (Hz) | 0.0018292(39) | ΦJ (Hz) | 0.0019788(40) | 0.0018384(61) | 0.001885(10) | 0.001848(13) |
| HJK (Hz) | −0.02017(19) | ΦJK (Hz) | −0.02012(19) | −0.01759(10) | −0.01902(22) | −0.01806(41) |
| HKJ (Hz) | −5.4240(16) | ΦKJ (Hz) | −5.4267(16) | −5.3629(82) | −5.2389(47) | −5.241(13) |
| HK (Hz) | 144.5(62) | ΦK (Hz) | 143.4(63) | 0.0 | 0.0 | 0.0 |
| h1 (Hz) | 0.0006741(67) | ϕJ (Hz) | 0.0006843(61) | 0.0006279(98) | 0.000687(14) | 0.000643(24) |
| h2 (Hz) | 0.0000590(45) | LJK (mHz) | −0.01139(23) | 0.0 | 0.0 | 0.0 |
| LJK (mHz) | −0.01315(23) | LKKJ (mHz) | 0.5306(15) | 0.499(16) | 0.0 | 0.0 |
| LKKJ (mHz) | 0.5352(15) | |||||
| N(b) | 1066 | 1066 | 773 | 716 | 261 | |
| Jmax, Ka, max | 59, 27 | 59, 27 | 59, 19 | 59, 17 | 58, 15 | |
| σ (MHz) (c) | 0.028 | 0.028 | 0.028 | 0.039 | 0.44 | |
| σw(d) | 0.57 | 0.57 | 0.56 | 0.76 | 0.86 | |
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