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. 2022 Oct 17;27(20):6967. doi: 10.3390/molecules27206967
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
kf Fluorescence rate constant
kISC Intersystem crossing rate constant
knr Nonradiative rate constant; knr=kISC+kIC kIC
kp Phosphorescence rate constant
kq Bimolecular quenching constant
kr Radiative rate constant; kr=kf+kp kf
KSV 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
Stokes shift in cm−1
0 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
φ Quantum yield (QY)
φΔ Singlet oxygen quantum yield
φf Fluorescence quantum yield
φISC Intersystem crossing quantum yield
φT Quantum yield of triplet formation