Fig. 2: Photophysical properties and theoretical simulation of C5T-Pc and C5T-Pco. | Nature Communications

Fig. 2: Photophysical properties and theoretical simulation of C5T-Pc and C5T-Pco.

From: Aggregation control of anionic pentamethine cyanine enabling excitation wavelength selective NIR-II fluorescence imaging-guided photodynamic therapy

Fig. 2

Absorption spectra (a) and PL emission spectra (b) of 5 µM C5T-Pc and C5T-Pco in the THF solutions and THF/H2O mixtures (1/99, V/V). c Relative PL intensity plots of the maximum peaks of 5 µM C5T-Pc and C5T-Pco in THF/H2O mixtures dependent on the fw; Absorption spectra (d) and PL spectra (e) of 5 µM C5T-Pco in different solvents, TOL: toluene; DCM: dichloromethane; THF: tetrahydrofuran; DMSO: dimethyl sulfoxide. f Normalized infrared transmission spectra of C5T-X and PcoBr. g Calculated electrostatic surface potential profile of C5T-Pco based on the DFT method. h Calculated aggregation behavior of C5T-Pco under nanoconfinement conditions based on MD simulations. i J-value distribution versus distance of C5T-Pco aggregates. j Two packing modes of C5T-Pco J-dimers with high J values. (λex = 700 nm).

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