. 2022 Sep 28;12(42):27596–27603. doi: 10.1039/d2ra04542g

Upper sub-table: calculated proportions of chloroform molecules with different combinations of chlorine isotopes and the corresponding vibrational frequencies of ν₅. Lower sub-table: fitting parameters using eqn (1) when j = 5 (the parameters belonging to ν₆ mode are not listed).

	CH³⁵Cl₃	CH³⁵Cl₂³⁷Cl	CH³⁵Cl³⁷Cl₂	CH³⁷Cl₃
Calculated
Proportion (%)	43.50	41.73	13.35	1.42
Frequency of v₅ (cm⁻¹)	364.74	361.93	359.05	356.10

Fitting parameters when j = 5
A _j (relative proportion in %)	86 (46.5)	72 (38.9)	23 (12.4)	4 (2.2)
ω _j (cm⁻¹)	370.85	368.00	365.15	362.30

Upper sub-table: calculated proportions of chloroform molecules with different combinations of chlorine isotopes and the corresponding vibrational frequencies of ν5. Lower sub-table: fitting parameters using eqn (1) when j = 5 (the parameters belonging to ν6 mode are not listed).