In 2015,Cheema, Hammad; Islam, Ashraful; Han, Liyuan; El-Shafei, Ahmed published 《Monodentate pyrazole as a replacement of labile NCS for Ru (II) photosensitizers: Minimum electron injection free energy for dye-sensitized solar cells》.Dyes and Pigments published the findings.Computed Properties of C4H3F3N2 The information in the text is summarized as follows:
A mono-dentate ligand of 3-(trifluoromethyl) pyrazole, instead of the labile isothiocyanate ligand for Ru (II) photosensitizers, was developed. This mol. modulation resulted in a new structure motif (HD-11) with 50 nm red shift in the low energy metal-to-ligand charge transfer (MLCT) absorption peak. However, electrochem. measurements revealed that both ground and excited state oxidation potentials were stabilized, this is attributed to the presence of strong electron withdrawing group CF3 tethered to pyrazole, which resulted in more free energy for dye regeneration, but less driving force for electron injection into the conduction band of TiO2. Hence HD-11, resulted in lower Jsc of 12.89 mA cm-2 compared to 17.07 mA cm-2 of N719 under similar conditions. Addnl., Voc of HD-11 was lower than N719, owing to decreased eTiO2 life time of 0.674 ms compared to 8.8 ms of N719 for injected electrons as found by impedance measurements. In addition to this study using 3-(Trifluoromethyl)-1H-pyrazole, there are many other studies that have used 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Computed Properties of C4H3F3N2) was used in this study.
3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Computed Properties of C4H3F3N2
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics