Table 1.
Molecule | σ | T | Nloc | Molecule | σ | T | Nloc |
---|---|---|---|---|---|---|---|
Methane | 1 | — | 0.005 | Cyclopentene | 0.003 | 0.89 | 5.7 |
Ethylene oxide | 0.5 | 0.015 | 0.16 | 0.008 | 0.70 | 5.0–5.1 | |
0.7 | 0.018 | 0.12 | 0.01 | 0.35 | 3.1–4.5 | ||
0.8 | 0.01 | 0.10 | 0.01 | 0.67 | 2.9 | ||
Cyclopropane | 0.7 | 0.0035 | 2.4 | 0.02 | 0.4 | 2.3–3.9 | |
0.3 | 0.0174 | 1.3 | 2,3-Dihydrofuran | 0.5 | 0.2 | 5.3 | |
Ethane | 1 | 0.01 | 1.1 | Tetrahydrofuran | 0.01 | 0.75 | 2.2–4.0 |
0.8 | 0.02 | 2.9 | Cyclopentanone | 0.003 | 1.3 | 2.6–5.5 | |
Oxetane | 1 | 0.13 | 1.84 | Norbornene | 0.01 | 1.6 | 6.8–12 |
1 | 0.18 | 0.22 | 0.1 | 2.6 | 10 | ||
1 | 0.22 | 0.29 | Cyclopentane | 0.01 | 1.7 | 6.1–9.0 | |
1 | 0.22 | 0.14 | 0.02 | 1.4 | 6.2 | ||
Methyl formate | 0.3 | 0.05 | 1.67 | 0.09 | 0.5 | 3.2–5.2 | |
Propylene oxide | 0.02 | 0.5 | 2.4 | Cyclohexane | 0.005 | 1.3 | 8.1–12 |
0.02 | 0.6 | 1.8 | 0.01 | 2.2 | 9.4 | ||
Fluorobenzene | 1 | 0.9 | 2.2–3.7 | 0.01 | 1.1 | — | |
Cyclobutanone | 0.4 | 0.24 | 1.3–3.2 | Isobutane | 0.05 | 0.2 | 3.8 |
0.3 | 0.4 | 1.5 | 2-Methyltetrahydrofuran | 0.003 | 1.2 | 11–13 | |
Propane | 0.2 | 0.08 | 3.5 | 0.004 | 1.5 | 13 | |
0.4 | 0.26 | 0.4–1.1 |
From the data of Stewart and McDonald (11), modes other than C—H stretches and results where σ had only an upper bound were excluded. The mean value of the Nloc is about an order of magnitude larger than T; the correlation between the two is shown in Fig. 1. Where Stewart and McDonald listed a group of bands under one frequency, ranges are given for Nloc indicating the minimum and maximum values obtained numerically for the bands near that frequency.