| PC |
Photocatalyst |
| O-ATRP |
Organocatalysed atom transfer radical polymerisation |
| OQP |
Oxidative quenching pathway |
| R-X |
Initiator |
|
Initiator efficiency |
| Đ |
Molecular weight dispersity |
| PC*
|
Excited-state PC |
|
1,3PC*
|
First singlet/triplet excited-state PC |
| S1/T1
|
First singlet/triplet state |
|
Singlet/triplet quantum yield |
|
Lifetime of first singlet/triplet excited state of PC |
|
Overall rate constant for activation |
|
Rate constant for the diffusion-controlled encounter of PC* and R-X to form an exciplex |
|
Rate constant for the dissociation of the exciplex to PC* and R-X |
|
Formation/dissociation equilibrium constant for the exciplex |
|
Rate constant for dissociative electron transfer in the exciplex |
| T |
Temperature |
|
Viscosity of the solvent |
|
Boltzmann constant |
| h |
Planck constant |
|
Gibbs free energy barrier for activation |
|
Electronic energy part of
|
|
Gibbs free energy change of electron transfer for activation |
|
Sum of the solvent reorganisation energy and the energy required to break the R-X bond |
|
Binding strength between PC* and R-X |
|
Electronic energy barrier for deactivation |
|
Binding strength between PC·+ and X−
|
| EBPA |
Ethyl--bromophenylacetate |
| TDDFT |
Time-dependent density functional theory |
| LOSC |
Localised orbital scaling correction |
| SMD |
Density-based implicit solvation model |
| HOMO |
Highest occupied molecular orbital |
| LUMO |
Lowest unoccupied molecular orbital |
|
Orbital wavefunction of HOMO/LUMO |
| IRC |
Intrinsic reaction coordinate |
| FLMO |
Fragment-localised molecular orbital |
|
Lifetime representation for
|
|
Lifetime representation for
|
|
Lifetime representation for
|
|
Lifetime representation for
|
| MIE |
Maximum initiator efficiency |
| AED |
Activation efficiency descriptor |
| MCL |
Minimum catalyst loading |
| CUD |
Catalyst utilisation descriptor |
| MMD |
Minimum molecular weight dispersity |
| DED |
Deactivation efficiency descriptor |