Zanotti G, Angelini N, Mattioli G, Paoletti A M, Pennesi G, Rossi G, Caschera D, de Marco L, Gigli G
Istituto di Struttura della Materia (ISM) - CNR Via Salaria Km 29.300, 00015 Monterotondo (Rm) Italy
Istituto per lo Studio dei Materiali Nanostrutturati (ISMN) - CNR Via Salaria Km 29.300, 00015 Monterotondo (Rm) Italy.
RSC Adv. 2018 Jun 4;8(36):20259-20262. doi: 10.1039/c8ra01651h. eCollection 2018 May 30.
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 S-S decay instead of a S-S 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 S-S emission reported in the commented paper is not attributable to the target molecule but rather to a neglected luminescent impurity.
作者回复了R.P. Steer的评论，该评论讨论了他们对新型化合物5,10,15 -（三苯基），20 - [乙炔基 -（4 - 羧基）苯基]四苯并卟啉锌（II）（PETBP）发光衰减错误归属的原因。已对该化合物进行了进一步的密度泛函理论（DFT）和含时密度泛函理论（TDDFT）计算，以研究直接单重态 - 单重态（S - S）衰减而非单重态 - 单重态转换随后发射至基态的可能性。此外，基于计算的吸收光谱和荧光光谱，考虑了开环型高发光污染物痕量的存在。这些研究结果证实，被评论论文中报道的S - S发射并非归因于目标分子，而是归因于一种被忽视的发光杂质。
