Dihedral angles obtained from experimental and theoretical geometries. Full table in ESI, Section 2.
Crystal structure geometry | Computational geometry | ||||
---|---|---|---|---|---|
Sample | φ 1/° | φ 2/° | Model | φ 1/° | φ 2/° |
[H][N(Tf)(Ac)] | 84 | 169 | [N(Tf)(Ac)]− | 58 | 169 |
[H][N(Tf)(Ac)] | 84 | 169 | [H][N(Tf)(Ac)] | 78 | 171 |
[K][N(Tf)(Ac)] | 180 | 180 | [N(Tf)(Ac)]− | 180 | 180 |
[H][N(TFA)(Ms)] | 181 | 61 | [N(TFA)(Ms)]− | 179 | 50 |
[H][N(TFA)(Ms)] | 181 | 61 | [H][N(TFA)(Ms)] | 171 | 61 |