Table 3. Fitting Results and Calculated Parameters of H₂ p → o Transition Bands^a.

nH2 / mmol g–1	T / K	Efree / meV	Atot / arb. units	Afree/Atot / %	ΔE / meV
1.7	20	14.63 ± 0.33	23 ± 9	41 ± 21	2.32 ± 0.15
	40	14.70 ± 0.10	16 ± 5	24 ± 17	2.24 ± 0.34
	60	14.84 ± 0.08	10 ± 2	31 ± 11	3.21 ± 0.22
	80	14.81 ± 0.14	4 ± 1	41 ± 18	2.94 ± 0.26
10	20	14.51 ± 0.04	75 ± 16	57 ± 10	1.99 ± 0.16
	40	14.61 ± 0.11	66 ± 27	59 ± 20	2.63 ± 0.39
	60	14.79 ± 0.19	42 ± 32	51 ± 38	3.00 ± 1.00
	80	14.61 ± 0.22	18 ± 7	48 ± 20	3.68 ± 0.45
31	20	14.47 ± 0.03	305 ± 46	71 ± 8	2.48 ± 0.82
	40	14.54 ± 0.06	161 ± 43	68 ± 13	2.64 ± 0.36
	60	14.70 ± 0.34	91 ± 26	47 ± 14	3.32 ± 0.74
	80	14.87 ± 0.13	43 ± 13	53 ± 16	4.08 ± 0.26

^aE_free, free-rotation band energy position; A_tot, total area of the band; A_free/A_tot, free-rotation band area relative to the total area of the band; ΔE, energy difference of the split ortho bands.