Reply to the ‘Comment on 'Metal–organic green dye: chemical and physical insight into a modified Zn-benzoporphyrin for dye-sensitized solar cells'’ by R. Steer, RSC Advances, 2018, DOI: 10.1039/c8ra00213d
| Autor: | Giuseppe Gigli, Gloria Zanotti, L. De Marco, Daniela Caschera, Giovanna Pennesi, Giuseppe Mattioli, Gentilina Rossi, Nicola Angelini, Anna Maria Paoletti |
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| Rok vydání: | 2018 |
| Předmět: |
Materials science
General Chemical Engineering 02 engineering and technology General Chemistry Time-dependent density functional theory 010402 general chemistry 021001 nanoscience & nanotechnology Photochemistry 01 natural sciences 0104 chemical sciences Metal Dye-sensitized solar cell Impurity visual_art visual_art.visual_art_medium Molecule 0210 nano-technology Luminescence Ground state Absorption (electromagnetic radiation) |
| Zdroj: | RSC Advances. 8:20259-20262 |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/c8ra01651h |
| Popis: | The authors reply to the comment by R. P. Steer discussing the reasons for their incorrect assignment of the luminescence decay of the novel compound 5,10,15-(triphenyl),20-[ethynyl-(4-carboxy)phenyl]tetrabenzoporphyrinate Zn(II) (PETBP). Further DFT and TDDFT calculations have been performed on the compound to investigate the possibility of a direct S2–S0 decay instead of a S2–S1 conversion with a subsequent emission to the ground state. In addition, the presence of traces of very luminescent contaminants of the ring-opened type has been considered on the grounds of calculated absorption and fluorescence spectra. The results of these investigations confirm that the S2–S0 emission reported in the commented paper is not attributable to the target molecule but rather to a neglected luminescent impurity. |
| Databáze: | OpenAIRE |
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