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Table 3
Spectroscopic constants for the ground- and vibrationally excited states of the trans conformer of CPCA.
| Constants/units | Ground state | ν27 | 2ν27 | ν16 | ν26 | 3ν27 | ν27 + ν16 |
|---|---|---|---|---|---|---|---|
| A/MHz | 15 885.549(45) | 15 778.423(62) | 15 676.048(88) | 15 980.713(47) | 15 888.49(11) | 15 577.886(79) | 15 863.51(13) |
| B/MHz | 3195.10235(26) | 3207.76840(41) | 3219.76650(60) | 3192.87144(33) | 3190.93426(74) | 3231.18571(60) | 3206.19178(89) |
| C/MHz | 3040.93992(25) | 3045.99119(36) | 3050.78930(64) | 3038.13243(28) | 3035.87075(64) | 3055.33570(58) | 3042.89403(84) |
| DJ/kHz | 0.50922(15) | 0.53049(23) | 0.55487(22) | 0.50253(23) | 0.50187(43) | 0.57944(35) | 0.51843(52) |
| DJK/kHz | 12.5700(11) | 11.7320(14) | 10.8774(22) | 12.8823(25) | 12.7997(39) | 10.0613(28) | 12.1590(50) |
| d1/kHz | −0.019406(24) | −0.02509(36) | −0.03146(60) | −0.01630(28) | −0.02138(65) | −0.03913(55) | −0.01959(80) |
| d2/kHz | −0.00581(13) | −0.00620(16) | −0.00731(17) | −0.00608(10) | −0.00535(19) | −0.00867(20) | −0.00648(30) |
| HJK/Hz | 0.0837(24) | 0.0537(30) | 0.0523(44) | 0.0600(50) | 0.0802(79) | 0.0495(57) | 0.061(10) |
| HKJ/Hz | −0.8448(33) | −0.7034(44) | −0.6184(55) | −0.8395(65) | −0.940(12) | −0.566(10) | −0.695(22) |
| σrms/kHz | 9.65 | 9.32 | 8.79 | 9.53 | 11.57 | 9.21 | 13.15 |
| Nlines | 208 | 196 | 164 | 142 | 150 | 168 | 138 |
| Jmin∕Jmax | 5/18 | 11/18 | 10/18 | 11/18 | 11/18 | 11/18 | 11/18 |
| Ka,min∕Ka,max | 0/17 | 0/17 | 0/16 | 0/16 | 0/16 | 0/15 | 0/14 |
| Constants/units | ν27 + ν26 | 2ν27 + ν16 | 2ν16 | 2ν27 + ν26 | 2ν26 | 3ν27 + ν16 | |
| A/MHz | 15 790.59(11) | 15 753.84(17) | 16 075.714(99) | 15 692.61(17) | 15 882.6(12) | 15 597.86(27) | |
| B/MHz | 3203.52896(82) | 3218.6359(13) | 3190.77722(98) | 3216.0069(13) | 3187.4267(38) | 3227.8800(22) | |
| C/MHz | 3041.59709(72) | 3047.2257(13) | 3035.57590(53) | 3047.2385(12) | 3031.3270(26) | 3052.7581(19) | |
| DJ/kHz | 0.52627(48) | 0.54322(69) | 0.49676(71) | 0.55387(60) | 0.4397(58) | 0.5668(15) | |
| DJK/kHz | 11.8662(50) | 11.4110(67) | 13.2328(77) | 10.8954(44) | 13.4(24) | 9.840(21) | |
| d1/kHz | −0.02846(74) | −0.0248(12) | −0.01287(67) | −0.0375(12) | −0.0505(30) | −0.0410(19) | |
| d2/kHz | −0.00606(41) | −0.00787(41) | −0.00630(39) | −0.00685(44) | −0.00535 (b) | −0.00938(72) | |
| HJK/Hz | 0.063(10) | 0.079(13) | 0.075(15) | 0.0837 (a) | 0.0802 (b) | 0.115(43) | |
| HKJ/Hz | −0.749(19) | −0.691(25) | −0.628(37) | −0.629(31) | −0.940 (b) | −0.73(16) | |
| σrms/kHz | 11.41 | 15.39 | 15.61 | 20.98 | 27.20 | 25.30 | |
| Nlines | 141 | 134 | 104 | 130 | 18 | 76 | |
| Jmin∕Jmax | 11/18 | 11/18 | 11/18 | 11/18 | 11/18 | 11/18 | |
| Ka,min∕Ka,max | 0/13 | 0/13 | 0/12 | 0/14 | 0/1 | 0/10 | |
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