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Table 2
Measured and predicteda transition frequencies (MHz) of 12C2HD in the ground and excited bending statesb.
| J lower | e | f | e | f |
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| GS(Σ+) | ||||
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| 0 | 59 450.3568(0.5)∗ | |||
| 1 | 118 899.903(6) | |||
| 2 | 178 347.800(–3)c | |||
| 3 | 237 793.258(0) | |||
| 4 | 297 235.446(–1) | |||
| 5 | 356 673.553(0) | |||
| 6 | 416 106.758(–1)c | |||
| 7 | 475 534.251(0)c | |||
| 8 | 534 955.215(2)c | |||
| 9 | 594 368.829(–1) | |||
| 10 | 653 774.290(0)c | |||
| 11 | 713 170.778(6)∗ | |||
| 12 | 772 557.481(12)∗ | |||
| 13 | 831 933.589(22)∗ | |||
| 14 | 891 298.290(37)∗ | |||
| 15 | 950 650.773(58)∗ | |||
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| ν4(Π) | ν5(Π) | |||
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| 1 | 118 945.089(0) | 119 477.269(9) | 118 854.758(4) | 119 277.533(1) |
| 2 | 178 415.5619(2.6)∗ | 179 213.7501(2.3)∗ | 178 280.0823(1.4)∗ | 178 914.2101(1.4)∗ |
| 3 | 237 883.550(0) | 238 947.680(8) | 237 702.953(0) | 238 548.385(1) |
| 4 | 297 348.224(0) | 298 678.175(5) | 297 122.546(–1) | 298 179.221(4) |
| 5 | 356 808.761(4) | 358 404.387(0) | 356 538.043(–1) | 357 805.879(4) |
| 6 | 416 264.320(1) | 418 125.467(–2) | 415 948.623(–2) | 417 427.522(–2) |
| 7 | 475 714.076(–6) | 477 840.554(–4) | 475 353.469(–3) | 477 043.325(–3) |
| 8 | 535 157.215(–2) | 537 548.791(–7) | 534 751.765(1) | 536 652.447(–8) |
| 9 | 594 592.901(3) | 597 249.321(–14) | 594 142.692(9) | 596 254.063(3) |
| 10 | 654 020.294(9)∗ | 656 941.326(15) | 653 525.403(–6) | 655 847.322(3) |
| 11 | 713 438.577(13)∗ | 716 623.870(8)∗ | 712 899.122(5)∗ | 715 431.393(5)∗ |
| 12 | 772 846.920(18)∗ | 776 296.158(12)∗ | 772 263.004(7)∗ | 775 005.447(7)∗ |
| 13 | 832 244.493(25)∗ | 835 957.316(16)∗ | 831 616.236(10)∗ | 834 568.646(10)∗ |
| 14 | 891 630.469(32)∗ | 895 606.491(21)∗ | 890 957.998(13)∗ | 894 120.156(13)∗ |
| 15 | 951 004.018(41)∗ | 955 242.824(28)∗ | 950 287.470(17)∗ | 953 659.140(17)∗ |
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| 2ν4(Σ+) | 2ν4(Δ) | |||
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| 1 | 119 546.034(2) | |||
| 2 | 179 263.6778(1.3)∗ | 179 309.3350(1.8)∗ | 179 275.7267(1.3)∗ | |
| 3 | 239 060.981(4) | 239 044.331(4) | 239 014.204(6) | |
| 4 | 298 797.083(4) | 298 821.521(5) | 298 761.253(–4) | |
| 5 | 358 513.791(1) | 358 609.405(0) | 358 503.985(–3) | |
| 6 | 418 207.331(–3) | 418 410.034(1) | 418 241.519(–7) | |
| 7 | 477 874.064(–4) | 478 225.308(3) | 477 973.005(–1) | |
| 8 | 537 510.557(–9) | 538 056.907(0) | 537 697.560(–3) | |
| 9 | 597 113.735(9) | 597 906.201(–3) | 597 414.336(6) | |
| 10 | 656 680.889(6)∗ | 657 774.119(5)∗ | 657 122.442(5)∗ | |
| 11 | 716 209.964(9)∗ | 717 661.002(8)∗ | 716 821.035(8)∗ | |
| 12 | 775 699.553(12)∗ | 777 566.514(10)∗ | 776 509.241(11)∗ | |
| 13 | 835 149.038(16)∗ | 837 489.535(13)∗ | 836 186.197(14)∗ | |
| 14 | 894 558.632(21)∗ | 897 428.114(17)∗ | 895 851.036(18)∗ | |
| 15 | 953 929.360(26)∗ | 957 379.488(21)∗ | 955 502.892(23)∗ | |
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| 2ν5(Σ+) | 2ν5(Δ) | |||
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| 1 | 119 266.026(–2) | |||
| 2 | 178 810.6120(2.1)∗ | 178 895.5763(2.9)∗ | 178 812.7892(2.1)∗ | |
| 3 | 238 520.965(0) | 238 415.696(–2) | 238 410.266(12) | |
| 4 | 298 140.805(–1) | 298 017.458(11) | 298 006.559(2) | |
| 5 | 357 753.710(–1) | 357 617.725(–22) | 357 598.691(4) | |
| 6 | 417 358.294(1) | 417 216.318(7) | 417 185.812(3) | |
| 7 | 476 953.162(0) | 476 812.837(–13) | 476 767.084(–3) | |
| 8 | 536 536.935(4) | 536 407.080(4) | 536 341.685(–4) | |
| 9 | 596 108.209(–3) | 595 998.702(5) | 595 908.779(2) | |
| 10 | 655 665.623(10)∗ | 655 587.422(9)∗ | 655 467.519(9)∗ | |
| 11 | 715 207.784(15)∗ | 715 172.952(13)∗ | 715 017.079(13)∗ | |
| 12 | 774 733.323(20)∗ | 774 754.988(17)∗ | 774 556.623(17)∗ | |
| 13 | 834 240.875(27)∗ | 834 333.204(23)∗ | 834 085.316(23)∗ | |
| 14 | 893 729.088(36)∗ | 893 907.288(29)∗ | 893 602.322(29)∗ | |
| 15 | 953 196.627(45)∗ | 953 476.896(37)∗ | 953 106.809(37)∗ | |
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| ν4 + ν5(Σ+) | ν4 + ν5(Σ−) | ν4 + ν5(Δ) | ||
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| 1 | 119 372.9313(3.1)∗ | 119 376.714(15) | ||
| 2 | 179 063.7837(4.2)∗ | 179 063.2816(4.3)∗ | 179 051.0189(3.9)∗ | 179 059.2583(3.9)∗ |
| 3 | 238 758.286(–1) | 238 749.345(–3) | 238 719.510(25) | 238 740.079(–1) |
| 4 | 298 459.479(0) | 298 432.869(–8) | 298 374.940(1) | 298 416.109(–2) |
| 5 | 358 168.361(3) | 358 113.842(–7) | 358 014.181(4) | 358 086.157(–11) |
| 6 | 417 886.383(25) | 417 791.720(–4) | 417 634.055(–1) | 417 749.085(–1) |
| 7 | 477 614.796(–16) | 477 465.935(–11) | 477 231.522(–16) | 477 403.712(–12) |
| 8 | 537 354.882(–7) | 537 135.893(12) | 536 803.766(3) | 537 048.998(18) |
| 9 | 597 107.532(13)∗ | 596 800.904(13)∗ | 596 348.035(14)∗ | 596 683.802(14)∗ |
| 10 | 656 873.375(20)∗ | 656 460.282(19)∗ | 655 862.062(21)∗ | 656 307.208(21)∗ |
| 11 | 716 652.658(27)∗ | 716 113.214(27)∗ | 715 343.880(29)∗ | 715 918.291(28)∗ |
| 12 | 776 445.151(37)∗ | 775 758.809(35)∗ | 774 792.016(39)∗ | 775 516.237(38)∗ |
| 13 | 836 250.079(48)∗ | 835 396.085(46)∗ | 834 205.536(50)∗ | 835 100.324(48)∗ |
| 14 | 896 066.087(60)∗ | 895 023.967(57)∗ | 893 584.090(63)∗ | 894 669.917(60)∗ |
| 15 | 955 891.224(74)∗ | 954 641.305(69)∗ | 952 927.922(77)∗ | 954 224.462(72)∗ |
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| 3ν4(Π) | 3ν4(Φ) | |||
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| 1 | 119 333.0966(2.5)∗ | 120 417.290(–1) | ||
| 2 | 178 994.7108(3.4)∗ | 180 620.8207(3.4)∗ | ||
| 3 | 238 650.439(–3) | 240 818.166(3) | 239 596.144(5)d | 239 596.144(5)d |
| 4 | 298 298.393(1) | 301 007.179(3) | 299 496.549(4) | 299 497.179(–6) |
| 5 | 357 936.717(–1) | 361 185.646(–4) | 359 397.880(–4) | 359 399.589(–3) |
| 6 | 417 563.648(5) | 421 351.288(2) | 419 300.076(–8) | 419 303.924(–10) |
| 7 | 477 177.470(–1) | 481 501.676(–4) | 479 203.105(19) | 479 210.812(15) |
| 8 | 536 776.594(–1) | 541 634.304(3) | 539 106.728(–9) | 539 120.888(–5) |
| 9 | 596 359.515(11)∗ | 601 746.476(11)∗ | 599 010.788(11)∗ | 599 035.080(12)∗ |
| 10 | 655 924.840(17)∗ | 661 835.367(17)∗ | 658 914.861(17)∗ | 658 954.378(19)∗ |
| 11 | 715 471.300(26)∗ | 721 897.959(25)∗ | 718 818.479(25)∗ | 718 879.984(29)∗ |
| 12 | 774 997.751(36)∗ | 781 931.046(37)∗ | 778 721.028(35)∗ | 778 813.287(44)∗ |
| 13 | 834 503.177(49)∗ | 841 931.225(52)∗ | 838 621.766(48)∗ | 838 755.872(64)∗ |
| 14 | 893 986.690(65)∗ | 901 894.902(74)∗ | 898 519.824(64)∗ | 898 709.517(90)∗ |
| 15 | 953 447.530(84)∗ | 961 818.305(103)∗ | 958 414.206(83)∗ | 958 676.176(126)∗ |
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| 3ν5(Π) | 3ν5(Φ) | |||
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| 1 | 119 009.261(–9) | 119 878.115(5) | ||
| 2 | 178 511.2975(4.1)∗ | 179 814.4690(4.1)∗ | ||
| 3 | 238 010.190(–8) | 239 747.595(4) | 238 645.147(–2)d | 238 645.147(–2)d |
| 4 | 297 504.944(12) | 299 676.394(0) | 298 301.690(2)d | 298 301.690(2)d |
| 5 | 356 994.448(–13) | 359 599.794(2) | 357 955.058(–5)d | 357 955.058(–5)d |
| 6 | 416 477.774(23) | 419 516.690(–5) | 417 604.645(2) d | 417 604.645(2) d |
| 7 | 475 953.761(–10) | 479 426.001(–9) | 477 249.801(6) d | 477 249.801(6) d |
| 8 | 535 421.492(–1) | 539 326.646(8) | 536 889.885(–4) d | 536 889.885(–4) d |
| 9 | 594 879.894(13)∗ | 599 217.473(13)∗ | 596 523.777(13)∗ | 596 524.816(14)∗ |
| 10 | 654 327.955(20)∗ | 659 097.403(20)∗ | 656 151.543(20)∗ | 656 153.234(21)∗ |
| 11 | 713 764.666(29)∗ | 718 965.307(29)∗ | 715 772.221(29)∗ | 715 774.853(31)∗ |
| 12 | 773 189.019(40)∗ | 778 820.056(40)∗ | 775 385.140(40)∗ | 775 389.093(43)∗ |
| 13 | 832 600.016(53)∗ | 838 660.512(53)∗ | 834 989.623(53)∗ | 834 995.380(58)∗ |
| 14 | 891 996.663(69)∗ | 898 485.527(68)∗ | 894 584.987(68)∗ | 894 593.151(75)∗ |
| 15 | 951 377.978(87)∗ | 958 293.939(86)∗ | 954 170.539(86)∗ | 954 181.857(95)∗ |
Notes.
(b)
Observed – calculated values in kHz are in parentheses. For predicted transitions, 1σ uncertainty values in kHz are in parentheses.
(c)
From Cazzoli et al. (2008).
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