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Table 4
Spectroscopic constants for the ground and vibrationally excited states of cis conformer of CPCA.
| Constants/units | Ground state | ν27 | 2ν27 | ν16 | ν26 | 3ν27 | ν27 + ν16 |
|---|---|---|---|---|---|---|---|
| A/MHz | 11 417.32304(39) | 11 454.85634(69) | 11485.3120(23) | 11 444.8779(39) | 11 452.2176(21) | 11 522.0344(19) | 11 482.1682(18) |
| B/MHz | 3994.186538(85) | 3967.16406(24) | 3950.3361(12) | 3975.58760(64) | 3981.7448(15) | 3928.67737(90) | 3945.6599(11) |
| C/MHz | 3849.930881(87) | 3842.87981(23) | 3836.8000(11) | 3837.08702(58) | 3844.5882(12) | 3830.59473(82) | 3829.9139(11) |
| DJ/kHz | 3.7355(11) | 4.0405(17) | 4.4152(67) | 4.065(12) | 3.8166(58) | 4.4654(51) | 4.2188(52) |
| DJK/kHz | 1.24912(24) | 0.89498(43) | 0.5717(10) | 1.347(14) | 1.16303(84) | 0.5214(16) | 0.7408(40) |
| DK/kHz | −3.30818(76) | −3.2752(17) | −3.3254(54) | −3.784(17) | −3.3080(36) | −3.3402(44) | −3.3230(55) |
| d1/kHz | −1.33950(88) | −1.4677(18) | −1.7152(58) | −1.792(12) | −1.4089(39) | −1.7766(45) | −1.5892(41) |
| d2/kHz | −0.76937(41) | −0.74076(90) | −0.9201(29) | −0.9135(59) | −0.7784(20) | −0.9256(22) | −0.6459(20) |
| HJ/Hz | 0.00713(92) | −0.02318(33) | |||||
| HJK/Hz | −0.013204(89) | −0.00749(10) | |||||
| HKJ/Hz | 0.02195(73) | 0.03481(14) | |||||
| HK/Hz | −0.016015(15) | −0.01646(14) | |||||
| h1/Hz | 0.01140(81) | −0.005664(36) | |||||
| h2/Hz | 0.00796(40) | ||||||
| σrms/kHz | 37.90 | 32.22 | 47.51 | 46.23 | 39.54 | 47.07 | 49.05 |
| Nlines | 819 | 471 | 230 | 157 | 252 | 315 | 241 |
| Jmin∕Jmax | 3/76 | 3/69 | 7/52 | 9/62 | 8/50 | 7/62 | 9/53 |
| Ka,min∕Ka,max | 0/21 | 0/13 | 0/13 | 0/10 | 0/11 | 0/14 | 0/13 |
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