Table 9. Expansion coefficients of the potential energy surfaces (in cm -1) a .
| CH 3CO | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| A l | M | A l | M | A l | M | ||||||
| 66.538 | 0 | -71.867 | 3 | 5.329 | 6 | ||||||
| CH 2COH | |||||||||||
| A nl | N | L | A nl | N | L | A nl | N | L | |||
| 2308.050 | 0 | 0 | 0.572 | 2 | 2 | -4.161 | -1 | 1 | |||
| -1958.054 | 2 | 0 | -0.6x10 -4 | 2 | 4 | 0.7x10 -4 | -1 | 3 | |||
| -55.340 | 4 | 0 | -0.046 | 4 | 2 | -3.838 | -3 | 1 | |||
| 38.721 | 6 | 0 | 0.1x10 -4 | 4 | 4 | -0.11x10 -3 | -3 | 3 | |||
| 0.589 | 0 | 2 | 0.001 | 6 | 2 | 0.534 | -5 | 1 | |||
| 0.10x10 -3 | 0 | 4 | -0.2x10 -5 | 6 | 4 | -0.1x10 -4 | -5 | 3 | |||
| CH 2COCH 3 | |||||||||||
| A mnl | N | M | L | A mnl | N | M | L | A lmn | N | M | L |
| 1936.238 | 0 | 0 | 0 | -0.12x10 -3 | 2 | 0 | 4 | 0.1x10 -5 | 4 | 3 | 4 |
| -1432.135 | 2 | 0 | 0 | 0.069 | 4 | 0 | 2 | 0.008 | -1 | 3 | 1 |
| -61.140 | 4 | 0 | 0 | -0.4x10 -4 | 4 | 0 | 4 | -0.1x10 -4 | -1 | 3 | 3 |
| -2.543 | 6 | 0 | 0 | 0.019 | 6 | 0 | 2 | -1.108 | -3 | 3 | 1 |
| -149.629 | 0 | 3 | 0 | -0.10x10 -4 | 6 | 0 | 4 | -0.5x10 -4 | -3 | 3 | 3 |
| -0.521 | 0 | 6 | 0 | 0.062 | -1 | 0 | 1 | -0.033 | -5 | 3 | 1 |
| 0.379 | 0 | 0 | 2 | 0.007 | -1 | 0 | 3 | 0.5x10 -4 | -5 | 3 | 3 |
| 0.23x10 -3 | 0 | 0 | 4 | 2.883 | -3 | 0 | 1 | 0.038 | -2 | -3 | 2 |
| 72.044 | 2 | 3 | 0 | 0.001 | -3 | 0 | 3 | -0.1x10 -4 | -2 | -3 | 4 |
| -1.843 | 2 | 6 | 0 | -0.112 | -5 | 0 | 1 | -0.013 | -4 | -3 | 2 |
| -3.507 | 4 | 3 | 0 | -0.5x10 -4 | -5 | 0 | 3 | 0.2x10 -5 | -4 | -3 | 4 |
| -0.023 | 4 | 6 | 0 | -0.005 | 0 | 3 | 2 | -0.056 | -6 | -3 | 2 |
| 0.378 | 6 | 3 | 0 | 0.1x10 -4 | 0 | 3 | 4 | 0.3x10 -4 | -6 | -3 | 4 |
| 0.347 | 6 | 6 | 0 | -0.001 | 0 | 6 | 2 | 0.304 | 1 | -3 | 1 |
| -73.592 | -2 | -3 | 0 | -0.023 | 2 | 3 | 2 | 0.3x10 -4 | 1 | -3 | 3 |
| 6.280 | -4 | -3 | 0 | 0.1x10 -5 | 0 | 6 | 4 | -1.382 | 3 | -3 | 1 |
| 0.559 | 2 | 0 | 2 | 0.003 | 4 | 3 | 2 | 0.6x10 -3 | 3 | -3 | 3 |
a) M=3m; N=2n or 2n+1; L=2l or 2l+1; M ≥ 0 ⇒ cos 3mθ 1 ; M < 0 ⇒ sin 3mθ 1; N ≥ 0 ⇒ cos Nθ 2 ; N < 0 ⇒ sin Nθ 2 ;