| bpmp | 2,6-bis(2-pyridylmethyl)pyridine |
| CASPT2 | complete-active-space second-order perturbation theory |
| CASSCF | complete-active-space self-consistent field |
| cpmp | 6,2″-carboxypyridyl-2,2′-methylamine-pyridyl-pyridine |
| ddpd | N,N′-dimethyl-N,N′-dipyridine-2-ylpyridine-2,6-diamine |
| dqp | 2,6-di(quinolin-8-yl)-pyridine |
| FTIR | Fourier transform infrared (spectroscopy) |
| ISC | intersystem crossing |
| LFS | ligand-field splitting |
| LVC | linear vibronic coupling |
| SH | surface hopping |
| TAS | transient absorption spectroscopy |
| TDDFT | time-dependent density functional theory |