Open Access
Table 2
Rotational partition function for the symmetric and asymmetric conformers of doubly deuterated DME in the ground vibrational state computed for nine different temperatures.
| Temperature | 2.275 K | 5 K | 9.375 K | 18.75 K | 37.5 K | 75 K | 150 K | 225 K | 300 K |
|---|---|---|---|---|---|---|---|---|---|
| Symmetric conformer | |||||||||
| Approx.(a) | 94.481 | 307.843 | 790.372 | 2235.509 | 6322.974 | 17 884.072 | 50 583.794 | 92 928.364 | 143 072.576 |
| Total | 100.006 | 315.891 | 801.356 | 2251.224 | 6346.528 | 17 925.034 | 50 684.990 | 93 140.580 | 143 460.262 |
| Ratio | 1.058 | 1.026 | 1.014 | 1.007 | 1.004 | 1.002 | 1.002 | 1.002 | 1.003 |
| Asymmetric conformer | |||||||||
| Approx.(a) | 186.947 | 609.120 | 1563.884 | 4423.333 | 12 511.074 | 35 386.660 | 100 088.590 | 183 874.482 | 283 093.284 |
| Total | 197.606 | 624.644 | 1585.062 | 4453.594 | 12 556.198 | 35 463.956 | 100 274.098 | 184 257.132 | 283 786.136 |
| Ratio | 1.057 | 1.025 | 1.013 | 1.007 | 1.004 | 1.002 | 1.002 | 1.002 | 1.002 |
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