Table 1
Spectroscopic parameters for 12CH3O13CH3 and (13CH3)2O in the vibrational ground state.
| Parameter | (13CH3)2O | 12CH3O13CH3 | ||
|
|
||||
| ρ 1 | 0.215370(46) | 0.21502(28) | ||
| ρ 2 | 0.21700(26) | |||
| β1 (deg) | 8.888(15) | 9.093(61) | ||
| β2 (deg) | 8.731(65) | |||
|
|
||||
| A (MHz) | 38 439.90513(37) | 38 615.74379(32) | ||
| B (MHz) | 9538.241306(91) | 9795.633147(78) | ||
| C (MHz) | 8462.593602(87) | 8673.668938(74) | ||
| ΔJ (kHz) | 8.347491(98) | 8.711394(99) | ||
| ΔJK (kHz) | –27.22495(80) | –27.0258(11) | ||
| ΔK (kHz) | 342.1509(18) | 341.9507(25) | ||
| δJ (kHz) | 1.582315(15) | 1.676580(14) | ||
| δK (kHz) | –11.7538(18) | –12.7432(12) | ||
| ΦJ (Hz) | 0.006679(30) | 0.007265(32) | ||
| ΦJK (Hz) | 0.1177(14) | 0.1279(12) | ||
| ΦKJ (Hz) | –3.8858(52) | –3.9760(49) | ||
| ΦK (Hz) | 13.3577(86) | 13.1835(64) | ||
| φJ (Hz) | 0.0034228(54) | 0.0036653(49) | ||
| φJK (Hz) | 0.2694(11) | 0.29347(72) | ||
| φK (Hz) | 1.976(48) | 1.824(35) | ||
| lK (mHz) | 0.325(32) | 0.504(46) | ||
| lJKK (mHz) | 0.0573(74) | |||
|
|
||||
| Tunneling parameters | ||||
|
|
||||
| ϵ01 (MHz) | –2.9387(14) | –2.9810(83) | ||
| ϵ10 (MHz) | –3.0083(83) | |||
| [A − (B + C)/2] 01 (kHz) | 2.038(55) | 1.49(64) | ||
| [A − (B + C)/2] 10 (kHz) | 2.11(63) | |||
| [(B + C)/2] 01 (kHz) | –0.516(11) | –0.321(55) | ||
| [(B + C)/2] 10 (kHz) | –0.431(54) | |||
| [(B − C)/4] 01 (kHz) | –0.1612(75) | –0.1012(82) | ||
| [(B − C)/4] 10 (kHz) | –0.1012(82)* | |||
| −[ΔJ] 01 (Hz) | 0.2372(59) | 0.1651(57) | ||
| −[ΔJ] 10 (Hz) | 0.1651(57)* | |||
| −[ΔJK] 01 (Hz) | –1.498(53) | –0.602(66) | ||
| −[ΔJK] 10 (Hz) | –0.602(66)* | |||
| −[ΔK] 01 (Hz) | 2.078(35) | |||
| −[δJ] 01 (Hz) | 0.2138(75) | 0.1732(71) | ||
| −[δJ] 10 (Hz) | 0.1732(71)* | |||
| −[δK] 01 (Hz) | 0.623(43) | |||
| −[δK] 10 (Hz) | ||||
| [φJ] 01 (mHz) | –0.0512(21) | –0.0392(16) | ||
| [φJ] 10 (mHz) | –0.0392(16)* | |||
|
|
||||
| σ w | 0.92 | 0.96 | ||
Notes. Subscript 1 refers to the internal rotor
13CH3, and subscript 2 corresponds to
12CH3. The non-tunneling Fourier parameters
are given in the common notation for
rotational constants. For tunneling parameters 
the notation [ ]qq′ has
been used with the corresponding non-tunneling parameters enclosed in the brackets.
The standard deviation of the last two digits of the parameter is given in parentheses
after the value.
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