Absolute values of the intermolecular HOMO⋯HOMO interaction energies (|βHOMO–HOMO|, eV) in the (rac)- and [(S,S)-DM-EDT-TTF]3Ta2F10O salts.
| Interaction (type) | (S,S)- | (rac)- |
|---|---|---|
| I (B–C) | 0.8698 | 0.9422 |
| II (A–C) | 0.6637 | 0.7115 |
| III (A–B) | 0.4913 | 0.4450 |
| IV (B–C) | 0.0740 | 0.0796 |
| V (B–B) | 0.0198 | 0.0257 |
| VI (B–C) | 0.0702 | 0.0796 (=IV) |
| VII (A–C) | 0.0051 | 0.0139 |
| VIII (A–A) | 0.0440 | 0.0479 |
| IX (A–C) | 0.0193 | 0.0139 (=VII) |
| X (B–C) | 0.0702 (=VI) | 0.0797 |
| XI (B–B) | 0.0198 (=V) | 0.0254 |
| XII (B–C) | 0.0740 (=IV) | 0.0797 (=X) |
| XIII (A–C) | 0.0193 (=IX) | 0.0212 |
| XIV (A–A) | 0.0440 (=VIII) | 0.0499 |
| XV (A–C) | 0.0051 (=VII) | 0.0212 (=XIII) |