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One-Pot Strategy for Symmetrical and Unsymmetrical BOIMPY Fluorophores
Veröffentlicht in Journal of organic chemistry
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Halogenated BOIMPYs and Their Efficiency in Photodynamic Therapy
Veröffentlicht in ChemPhotoChem
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Excitation energies, singlet-triplet energy gaps, spin-orbit matrix elements and heavy atom effects in BOIMPYs as possible photosensitizers for photodynamic therapy: a computational investigationElectronic supplementary information (ESI) available: SOCs computed for compounds 1 and 4 using the B3LYP functional in conjunction with different basis sets; molecular orbital composition for the excited states involved in the singlet and triplet excitation for 1-5, 7 compounds. See DOI: 10.1039/c7cp067
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Investigating the optical properties of BOIMPY dyes using ab initio toolsElectronic supplementary information (ESI) available: (i) Complete list of transition energies with different methods; (ii) CC2 oscillator strengths for all compounds; (iii) EDD plots for all synthesised compounds; (iv) stick spectra of Ia: (v) vibronic analysis of IIIc; (vi) movies of the key vibrations. See DOI: 10.1039/c7cp01190c
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