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Table 3.
Spectroscopic constants for the ground state and vibrationally excited states of succinonitrile.
| Constants/units | Ground state | ν13 | ν12 | 2ν13 | ν13 + ν12 | ν24 |
|---|---|---|---|---|---|---|
| A/MHz | 6918.11131(80) | 6987.0714(22) | 6874.9947(28) | 7060.6476(31) | 6943.203(14) | 6958.8496(72) |
| B/MHz | 2376.27544(56) | 2373.8628(12) | 2386.2675(17) | 2370.4265(15) | 2384.1652(36) | 2376.8526(18) |
| C/MHz | 1896.98617(59) | 1894.1505(11) | 1901.5608(14) | 1891.0205(13) | 1898.6948(18) | 1898.7786(18) |
| ΔJ/kHz | 3.67233(99) | 3.6617(19) | 3.7191(23) | 3.6781(23) | 3.7132(33) | 3.7020(28) |
| ΔJK/kHz | −27.79568(51) | −28.5334(10) | −27.5273(14) | −29.4602(15) | −28.2720(62) | −28.4086(28) |
| ΔK/kHz | 70.248(11) | 75.279(18) | 67.087(21) | 81.358(27) | 72.61(12) | 73.332(66) |
| δJ/kHz | 1.264983(27) | 1.271132(73) | 1.28738(30) | 1.28068(14) | 1.2990(13) | 1.27704(22) |
| δK/kHz | 5.98372(48) | 6.5624(22) | 5.9509(25) | 7.2189(33) | 6.5426(65) | 6.1714(38) |
| ΦJ/mHz | 20.71(58) | 13.1(10) | 20.8(12) | 14.0(12) | 17.2(16) | 19.4(15) |
| ΦJK/mHz | − | 9.68(85) | − | 4.15(16) | − | − |
| ΦKJ/Hz | −1.0343(28) | −1.1824(53) | −0.9278(52) | −1.4840(85) | −0.942(22) | −0.986(13) |
| ΦK/Hz | 2.948(42) | 3.628(62) | 2.751(69) | 4.542(88) | 5.26(36) | 2.50(21) |
| ϕJ/mHz | 7.9224(40) | 7.192(11) | 8.580(75) | 6.506(33) | 10.94(54) | 7.941(35) |
| ϕK/Hz | 0.7819(13) | 0.685(12) | 0.6942(68) | 0.827(24) | 0.469(43) | 0.922(15) |
| σrms/kHz | 23.75 | 24.56 | 25.32 | 26.99 | 31.64 | 33.94 |
| σwrms (b) | 0.79 (c) | 0.82 (c) | 0.51 (d) | 0.54 (d) | 0.63 (d) | 0.68 (d) |
| Nlines | 459 | 351 | 251 | 293 | 140 | 189 |
| Jmin/Jmax | 6/70 | 6/66 | 13/46 | 11/58 | 15/44 | 14/54 |
| Ka, min/Ka, max | 0/14 | 0/13 | 0/12 | 0/12 | 0/12 | 0/13 |
| Constants/units | 3ν13 | 4ν13 | 2ν12 | 2ν13 + ν12 | ν13 + ν24 | ν23 |
| A/MHz | 7139.926(91) | 7215.1(33) | 6782.8(31) | 7015.635(74) | 7028.739(79) | 6776.0(61) |
| B/MHz | 2365.777(11) | 2359.11(49) | 2413.60(29) | 2381.0733(47) | 2374.0520(56) | 2381.77(61) |
| C/MHz | 1887.5285(13) | 1883.697(16) | 1906.0535(32) | 1895.60422(87) | 1895.78252(92) | 1898.585(14) |
| ΔJ/kHz | 3.698(17) | 3.6657(40) | 3.6885(24) | 3.65579(67) | 3.67139(73) | −3.6590(38) |
| ΔJK/kHz | −30.64(24) | −27.79568 (a) | −20.18(40) | −29.934(74) | −30.096(85) | −27.79568 (a) |
| ΔK/kHz | 93.8(69) | 70.248 (a) | 70.248 (a) | 105.3(17) | 103.2(19) | 70.248 (a) |
| δJ/kHz | 1.2881(85) | 1.264983 (a) | 1.264983 (a) | 1.264983 (a) | 1.264983 (a) | 1.264983 (a) |
| δK/kHz | 7.78(28) | 5.98372 (a) | 5.98372 (a) | 5.98372 (a) | 5.98372 (a) | 5.98372 (a) |
| ΦJ/mHz | 20.71 (a) | 20.71 (a) | 20.71 (a) | 20.71 (a) | 20.71 (a) | 20.71 (a) |
| ΦJK/mHz | − | − | − | − | − | − |
| ΦKJ/Hz | −1.0343 (a) | −1.0343 (a) | −1.0343 (a) | −1.0343 (a) | −1.0343 (a) | −1.0343 (a) |
| ΦK/Hz | 2.948 (a) | 2.948 (a) | 2.948 (a) | 2.948 (a) | 2.948 (a) | 2.948 (a) |
| ϕJ/mHz | 7.9224 (a) | 7.9224 (a) | 7.9224 (a) | 7.9224 (a) | 7.9224 (a) | 7.9224 (a) |
| ϕK/Hz | 0.7819 (a) | 0.7819 (a) | 0.7819 (a) | 0.7819 (a) | 0.7819 (a) | 0.7819 (a) |
| σfit/kHz | 32.10 | 26.36 | 36.62 | 28.38 | 31.68 | 36.15 |
| σwrms (b) | 0.64 (d) | 0.53 (d) | 0.73 (d) | 0.57 (d) | 0.63 (d) | 0.72 (d) |
| Nlines | 53 | 15 | 22 | 45 | 52 | 20 |
| Jmin/Jmax | 20/29 | 20/30 | 18/30 | 18/30 | 18/30 | 19/30 |
| Ka, min/Ka, max | 0/3 | 0/1 | 0/2 | 0/3 | 0/3 | 0/1 |
Notes. Numbers in parentheses represent the derived uncertainty (1σ) of the parameter in units of the last digit.
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