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对R. Steer于2018年发表的《关于“金属有机绿色染料:对用于染料敏化太阳能电池的改性锌苯卟啉的化学和物理洞察”的评论》的回复,DOI: 10.1039/c8ra00213d

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, , 2018, DOI: 10.1039/c8ra00213d.

作者信息

Zanotti G, Angelini N, Mattioli G, Paoletti A M, Pennesi G, Rossi G, Caschera D, de Marco L, Gigli G

机构信息

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.

出版信息

RSC Adv. 2018 Jun 4;8(36):20259-20262. doi: 10.1039/c8ra01651h. eCollection 2018 May 30.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ade/9128345/bb296fc3aa3d/c8ra01651h-f1.jpg

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