A |
Absorbance at irradiation wavelength |
Bipy |
2,2′-bipyridine |
BODIPY |
4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene |
CT |
Charge transfer |
CycHex |
Cyclohexane |
DCM |
Dichloromethane |
DFT |
Density functional theory |
DIPY |
Heteroleptic p-block mono(dipyrrinato) complex |
DPM |
Dipyrromethene |
EnT |
Energy transfer |
F |
Fraction of light absorbed |
HSO
|
Spin–orbital Hamiltonian |
HAE |
Heavy atom effect |
Hex |
Mixture of hexanes |
MCH |
Methylcyclohexane |
HOMO |
Highest occupied molecular orbital |
HOMO-1 |
MO level one step lower in energy than the HOMO |
I
|
Integrated emission intensity |
I
0
|
Light intensity of the irradiation source |
IC |
Internal Conversion |
1,3IL |
Singlet or triplet intraligand state |
1,3ILCT |
Singlet or triplet intraligand charge transfer state |
ISC |
Intersystem crossing |
|
Fluorescence rate constant |
|
Intersystem crossing rate constant |
|
Nonradiative rate constant;
|
|
Phosphorescence rate constant |
|
Bimolecular quenching constant |
|
Radiative rate constant;
|
|
Stern-Volmer constant |
1,3LLCT |
Singlet or triplet ligand-to-ligand charge transfer, also called ICT state |
1,3LMCT |
Singlet or triplet ligand-to-metal charge transfer |
LUMO |
Lowest unoccupied molecular orbital |
LUMO + 1 |
MO level one step higher in energy than the LUMO |
1,3MC |
Singlet or triplet metal-centered |
MeOH |
Methanol |
Mes |
Mesityl |
1,3MLCT |
Singlet or triplet metal-to-ligand charge transfer state |
1,3MMCT |
Singlet or triplet metal-to-metal charge transfer state |
MO |
Molecular orbital |
MOF |
Metal-organic framework |
n |
Refractive index |
NIR |
Near-infrared region |
PDT |
Photodynamic therapy |
Ph |
Phenyl |
PS |
Photosensitizer |
Q |
Quencher (= 3O2 in PDT) |
QY |
Quantum yield, see φ |
r3
|
Mean cubic radial distribution of the electron |
ROS |
Reactive oxygen species |
SBCT |
Symmetry breaking charge transfer |
SOC |
Spin–orbital coupling |
S0
|
Singlet ground state |
S1
|
First singlet excited state |
TA |
Transient absorption |
TDDFT |
Time dependent DFT |
THF |
Tetrahydrofuran |
TM |
Transition metal |
Tol |
Toluene |
TTA |
Triplet-triplet annihilation |
T1
|
First triplet excited state |
UV-Vis |
Ultra-violet – visible range |
Z |
Atomic number |
∆λ |
Stokes shift in nm |
∆ES1−T1
|
Energy gap between the first triplet excited state and the first singlet excited state |
∆ET1−S0
|
Energy gap between the first triplet excited state and the ground state |
∆ṽ
|
Stokes shift in cm−1
|
∆ṽ0
|
Uncorrected Stokes shift in cm−1, obtained from eq. Equation (6) |
ɛ |
Molar absorption coefficient |
λ |
Wavelength (in cm−1) |
λa
|
Wavelength at maximum absorption |
λex
|
Excitation wavelength |
λf
|
Wavelength at maximum emission |
τ |
Lifetime of a state |
τ0
|
Lifetime in the absence of Q |
τr
|
Radiative lifetime |
τS
|
Singlet state lifetime |
τT
|
Triplet state lifetime |
|
Quantum yield (QY) |
|
Singlet oxygen quantum yield |
|
Fluorescence quantum yield |
|
Intersystem crossing quantum yield |
|
Quantum yield of triplet formation |