Synthesis, characterization and application of trans-D–B–A-porphyrin based dyes in dye-sensitized solar cells

Porphyrins as Active Components for Electrochemical and Photoelectrochemical Devices

“…Schematic representation of a porphyrin based (D-π-A) system for TiO 2 DSSC. [243][244][245][246][247][248] resulted in a slight red shifting of the Soret absorption band and a narrowing of the Q bands with respect to YD-2 because of the electron donating properties of the substituents that also affect reductions potential of the dye in a similar fashion. DFT calculations predicted an increased HOMO-LUMO energy gap.…”

“…Although with low efficiencies, even very simple structures can be used as push-pull systems, as in the case of the unsymmetrical trans-substituted free base porphyrin reported in Figure 66, 245 in which the introduction of a cyanoacrylic acid anchoring group resulted in enhanced photoconversion efficiencies.…”

Quantum-Сhemical Insight into the Reactivity of 5-Bromo-10,20-diaryl-porphyrins towards Nucleophiles

“…While the extension of basis set with the polarizing and diffuse functions may increase the quantitative accuracy of the obtained data, the 6-31G* basis set provides compensated compromise between the accuracy and time-consuming characteristics of the calculation. The B3LYP/6-31G* level of theory is widely applied for the calculation of the characteristics of porphyrins and their metal complexes, such as structural parameters, [26][27][28][29][30] electronic coupling, [26] energy profiles, [27,30] electron transfer and charge separation, [31,32] molecular orbitals localization, [28,29,[31][32][33] spectral properties. [29,30] We attempted to evaluate the reactivity of bromoporphyrins 2a-g towards nucleophiles using the value of a skew angle between the nitrogen atom lone pair and the porphyrin plane.…”

Near Infrared Organic Semiconducting Materials for Bulk Heterojunction and Dye‐Sensitized Solar Cells

“…Liu et al, have investigated a series of unsymmetrical trans ‐D‐B‐A porphyrin based dye molecules (D‐donor, B‐bridge, A‐acceptor), with a different donating group substituent on the opposite side of the acceptor and used as sensitizer for DSSCs . These molecules contain a porphyrin unit as a π‐bridge, a substituted phenyl group as an electron donor and cyanoacrylic acid or carboxylic acid as an electron acceptor as well as an anchoring unit.…”