Table 4. Three Largest Absolute Magnitude Coupling Coefficients of MULTIMODE Frequencies for gauche-Ethanol.
|
gauche-ethanol | |||
|---|---|---|---|
| MULTIMODE frequency | coupling modes | quanta | coeff. |
| 2880 | CH2–sstr | ν16 | 0.5852 |
| CH3–sdef + CH3–adef″ | ν12 + ν14 | –0.4138 | |
| CH3–adef′ | 2ν13 | 0.2968 | |
| 2923 | CH3–adef″ | 2ν14 | –0.5771 |
| CH3–sstr | ν17 | –0.4987 | |
| CH3–adef′ | 2ν13 | –0.3752 | |
| 2931 | CH2–astr | ν18 | –0.5134 |
| CH3–adef′ + CH2–sdef | ν13 + ν15 | 0.4367 | |
| CH3–adef″ + CH2–sdef | ν14 + ν15 | 0.4249 | |
| 2950 | CH2–astr | ν18 | 0.5068 |
| CH2–sdef | 2ν15 | –0.4341 | |
| CH3–adef″ + CH2–sdef | ν14 + ν15 | 0.4097 | |
| 2959 | CH2–sdef | 2ν15 | –0.6244 |
| CH3–astr′ | ν19 | –0.4643 | |
| CH2–astr | ν18 | –0.4046 | |
| 2978 | CH3–astr″ | ν20 | 0.8087 |
| CH3–adef″ + CH2–sdef | ν14 + ν15 | 0.3754 | |
| CH3–astr′ | ν19 | –0.2759 | |
| 2979 | CH2–sdef | 2ν15 | 0.5336 |
| CH3–astr′ | ν19 | –0.5294 | |
| CH3–adef″ + CH2–sdef | ν14 + ν15 | 0.3885 | |