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Table 2

Partition function for glycinamide(a) and its dependence on accounting for vibrational states.

T/K g.s.(b) Three pairs(c) ≤412 cm−1 (d)
300 160 929 317 605 544 700
250 122 291 225 975 355 078
200 87 037 147 233 207 313
160 61 777 95 103 120 650
150 55 923 83 734 103 323
100 29 786 37 705 40 729
75 18 942 21 739 22 387
50 9901 10 392 10 444
25 3139 3147 3147

Notes. (a)Evaluated numerically by counting all rotational states up to J = 100. (b)Accounting for only the ground-state 0+, 0 doublet. (c)Accounting for the g.s., v27 = 1, and v26 = 1 tunnelling doublets studied in this work.(d)Accounting for 19 tunnelling substates estimated to be present up to 412 cm−1 by adding predictions from a double minimum model for the ν27 mode to vibrational energy levels for the ν26, ν25, and ν24 normal modes, and assuming average ground-state rotational constants for all vibrational states.

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