| Parameter | Value | Ref. |
|---|---|---|
| A″ [MHz] | 6135.2636(414) | a |
| B″ [MHz] | 5203.3487(393) | |
| C″ [MHz] | 3810.597(48) | |
| τ1 [kHz] | -39.601(160 61) | |
| τ2 [kHz] | -13.044(5355) | |
| τ3 b [kHz] | 504.1(1182) | |
| τaaaa [kHz] | -21.31(568) | |
| τbbbb [kHz] | -16.58(541) | |
| τcccc [kHz] | -21.67(574) | |
| µa [C · m] µa [D] |
0.142(1) |
79031 |
2CH2_CH2.gif)
| a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989). b The value of τ3 is fixed by setting R6 = 0. |
| Parameter | Value | Ref. |
|---|---|---|
| A″ [MHz] | 7536.35(11) | a |
| B″ [MHz] | 3550.9907(102) | |
| C″ [MHz] | 2741.6525(113) | |
| τ1 [kHz] | -88.75(41) | |
| τ2 [kHz] | -18.86(41) | |
| τ3 [kHz] | 0.295(33) b | |
| τaaaa [kHz] | 0 c | |
| τbbbb [kHz] | -3.89(69) | |
| τcccc [kHz] | -0.98(72) | |
| µa [C · m] µa [D] |
0.312(3) |
79032 |
| µc [C · m] µc [D] |
0.071(42) |
| a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989). b The value of τ3 is fixed by setting R6 = 0. c Fixed at zero. |
| Parameter | ν39 = 1 | ν39 = 2 | ν39 = 3 | Ref. |
|---|---|---|---|---|
| A [MHz] | 7536. 561(368) | 7536.938(256) | 7536.950(250) | 79032 |
| B [MHz] | 3567.316(30) | 3583.788(21) | 3600.419(22) | |
| C [MHz] | 2742.475(30) | 2743.243(22) | 2743.938(22) | |
| ΔJ [kHz] | 0.5(2) | 0.6(1) | 0.8(2) | |
| ΔJK [kHz] | 21.4(8) | 22.2(6) | 22.9(7) | |
| ΔK [kHz] | -43.2(1030) | -13.5(683) | 5.1(638) | |
| δJ [kHz] | 0.2(2) | 0.2(1) | 0.1(1) | |
| δK [kHz] | 6.4(66) | 12.3(47) |
| Parameter | Ground State | Ref. | ν39 = 1 | ν39 = 2 | Ref. |
|---|---|---|---|---|---|
| A″ [MHz] | 7294.185(37) | a | 7280.47(50) | 7268.91(56) | 79032 |
| B″ [MHz] | 3916.1226(48) | 3914.90(2) | 3913.03(3) | ||
| C″ [MHz] | 2879.3045(45) | 2883.36(2) | 2887.03(2) | ||
| τ1 [kHz] | -17.99(50) | ||||
| τ2 [kHz] | -5.05(19) | ||||
| τ3 [kHz] | 130.(20) b | ||||
| τaaaa [kHz] | 0 c | ||||
| τbbbb [kHz] | -5.96(47) | ||||
| τcccc [kHz] | -3.47(27) | ||||
| µa [C · m] µa [D] |
0.367(4) |
||||
| µc [C · m] µc [D] |
0.154(6) |
||||
| Eg (cm-1) | 129.5 d | ||||
|
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989). b Value fixed by setting R6 = 0. c Fixed at zero. d With respect to the trans-isomer. |
| Parameter | A-species | Ref. | Parameter | General Hamiltonian | Ref. |
|---|---|---|---|---|---|
| A [MHz] | 10 987.805(41) | 81037 a | 10 985.103(50) | 81037 b | |
| B [MHz] | 2601.395(5) | 2600.896(10) | |||
| C [MHz] | 2371.405(5) | 2371.299(11) | |||
| ΔJ [kHz] | 4.72(4) | 4.71(3) | |||
| ΔJK [kHz] | -81.2(2) | -81.8(2) | |||
| ΔK [kHz] | 478.(13) | 478.(8) | |||
| δJ [kHz] | 0.569(2) | 0.560(2) | |||
| δK [kHz] | -41.1(3) | -42.0(2) | |||
| HJ [Hz] | -0.6(1) | ρa | 0.033 49(12) | ||
| HJK [Hz] | -5.0(9) | ρb | 0.014 30(4) | ||
| HKJ [Hz] | 122. (42) | ρc | 0.001 25(8) | ||
| Hk [Hz] | -1800.(1200) | V3 (cm-1) | 277.(1) | ||
| hJ [Hz] | 0.036(5) | Iα (u Å2) | 3.189(10) | ||
| hJK [Hz] | -0.5(9) | s | 22.649(16) | ||
| hK [Hz] | -43.(33) | F [GHz] | 163.2(5) | ||
| Electric Dipole Moment | |||||
| µa [C · m] µa [D] |
0.002(2) |
||||
| µb [C · m] µb [D] |
0.274(3) |
||||
| µc [C · m] µc [D] |
0.070(12) |
||||
|
a See (Eq. 4).
b See (Eq. 1). |
| Parameter | ν = 1 | ν = 2 | Ref. |
|---|---|---|---|
| A [MHz] | 10 868.956(53) | 10 811.562(38) | 81037 |
| B [MHz] | 2637.681(10) | 2670.390(8) | |
| C [MHz] | 2396.975(10) | 2417.859(8) | |
| ΔJ [kHz] | 6.74(3) | 7.74(3) | |
| ΔJK [kHz] | -107.2(2) | -115.0(1) | |
| ΔK [kHz] | 567.(7) | 581.(5) | |
| δJ [kHz] | 1.063(2) | 1.453(1) | |
| δK [kHz] | -55.1(2) | -56.5(1) | |
| HJK [Hz] | -6.1(7) | -3.3(4) | |
| hJ [Hz] | 0.085(8) | 0.081(6) | |
| hJK [Hz] | 0.2(11) | 5.5(7) | |
| ρa | 0.035 28(11) | 0.038 84(7) | |
| ρb | 0.014 78(4) | 0.015 43(2) | |
| ρc | 0.001 84(4) | 0.002 52(2) | |
| Iα (u Å2) [MHz] | 3.295 a 3.189 b |
3.479 a 3.189 b |
|
| V3 (cm-1) [MHz] | 272.(1) a 284.(1) b |
264.(1) a 295.(1) b |
|
| σν- c [MHz] | 0.23 | 0.13 | |
| ΔE [MHz] | 1.2(1) | 18.6(1) | |
| α | -4.6° d | ||
| β | 22.8(5)° | 24.9(1)° | |
| γ | 3.4(7)° | 3.5(1)° | |
| ΔRxx [kHz] | 260.(7) | ||
| ΔRyy [kHz] | -8.4(8) | ||
| ΔRzz [kHz] | -24.4(3) | ||
| ΔRxy [kHz] | 3.7(9) | ||
| σΔν c [MHz] | 0.03 | 0.06 |
|
a See (Eq. 4) of
[81037]. b Fixed. c σν- and σΔν give the r.m.s. deviations of the average frequencies and the doublet splittings, respectively. For further explanation see [81037]. d Assumed. |
