| XB | halogen bond |
| XD | halogen-donor |
| NHC | N-heterocyclic-carbenes |
| I | imidazol-2-ylidene |
| IR | R-substituted imidazol-2-ylidene |
| Me | methyl group |
| Pr | isopropyl group |
| Bu | tert-butyl group |
| Ph | phenyl group |
| Mes | mesityl group |
| Dipp | 2,6-diisopropylphenyl group |
| Ad | adamantyl group |
| DFT | Density Functional Theory |
| QTAIM | Quantum Theory of Atoms in Molecules |
| BCP | bond critical point |
| RCP | ring critical point |
| NCI | Noncovalent Interaction (index) |
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