Table A.1
Mid-infrared vibrational modes of amorphous methanol ice (CH3OH) and its isotopologues between 2300 and 800 cm–1 at 10 K.
| Mode/cm–1 (μm) | CH3OH | CH3OD | CH2DOH | CHD2OH | CD3OH | CD3OD |
|---|---|---|---|---|---|---|
| CD3 asym. stretch | — | — | — | — | 2233 (4.48) | 2244 (4.46) |
| CD3 asym. stretch | — | — | — | — | 2215 (4.51) | 2216 (4.51) |
| CD2 asym. stretch | — | — | — | 2222 (4.50) | — | — |
| CD2 asym. stretch | — | — | — | 2180 (4.59) | — | — |
| C−D stretch | — | — | 2242 (4.46) | — | — | — |
| C−D stretch | — | — | 2179 (4.59) | — | — | — |
| C−D stretch | — | — | 2146 (4.66) | — | — | — |
| CD2 sym. stretch | — | — | — | 2126 (4.70) | — | — |
| CD3 sym. stretch | — | — | — | — | 2071 (4.83) | 2071 (4.83) |
| CH3 deformation | 1461 (6.84) | — | — | — | — | — |
| CH3 asym. bend | — | 1470 (6.80) | — | — | — | — |
| CH3 sym. bend | — | 1445 (6.92) | — | — | — | — |
| CH2 bend | — | — | 1464 (6.83) | — | — | — |
| C−H bend | — | — | — | 1329 (7.52) | — | — |
| C−H bend | — | — | — | 1301 (7.69) | — | — |
| O−H/O−D bend | 1461 (6.84) | 942 (10.62) | 1464 (6.83) | 1424 (7.02) | 1398 (7.15) | 1123 (8.90) |
| CH3 rock | — | 1234 (8.10) | — | — | — | — |
| CH3 rock | 1158 (8.64) | 1161 (8.61) | — | — | — | — |
| CH3 rock | 1129 (8.86) | 1123 (8.90) | — | — | — | — |
| CD3 sym. bend | — | — | — | — | 1122 (8.91) | 1123 (8.90) |
| CH2 wag | — | — | 1326 (7.54) | — | — | — |
| CH2 twist | — | — | 1293 (7.73) | — | — | — |
| CH2 rock | — | — | 1108 (9.03) | — | — | — |
| CD2 bend | — | — | — | 1088 (9.19) | — | — |
| CH2 rock | — | — | 1087 (9.20) | — | — | — |
| CD3 asym. bend | — | — | — | — | 1067 (9.37) | 1062 (9.42) |
| C−O stretch | 1031 (9.70) | 1031 (9.70) | 1036 (9.65) | 1031 (9.70) | 981 (10.19) | 975 (10.26) |
| CD2 wag | — | — | — | 949 (10.54) | — | — |
| OCD bend | — | — | 919 (10.88) | — | — | — |
| CD2 twist | — | — | — | 895 (11.17) | — | — |
| CD3 rock | — | — | — | — | 898 (11.14) | 900(11.11) |
| CD3 rock | — | — | — | — | — | 832 (12.02) |
Notes. Band positions are given in cm–1, with corresponding wavelengths in μm shown in parentheses. “—” indicates that the mode is not observed or not applicable for that isotopologue. Assignments are tentative.
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