Department of Chemistry, Kuwait University, P.O. Box 5969, Safat 13060, Kuwait.
Organometallic and Organometalloid Chemistry Department, National Research Centre, Cairo 12622, Egypt.
Molecules. 2020 Apr 7;25(7):1692. doi: 10.3390/molecules25071692.
An asymmetrical, push-pull phthalocyanine bearing bulky -butylcarbazolyl moieties as electron donor and carboxylic acid as anchoring group was synthetized and tested as a photosensitizer in dye-sensitized solar cells (DSSC). The new photosensitizer was characterized by 1H and 13C NMR, UV-Vis and mass spectrometry. The bulky -butylcarbazolyl moieties avoid the aggregation of the phthalocyanine dye. DFT studies indicate that the HOMO is delocalized throughout the -electron system of the substituted phthalocyanine and the LUMO is located on the core of the molecule with a sizable electron density distribution on carboxyl groups. The new dye has been used as a photosensitizer in transparent and opaque dye-sensitized solar cells, which exhibit poor efficiencies related to a low Jsc.
一种不对称的推拉酞菁，带有庞大的丁基咔唑基团作为电子供体和羧酸作为锚定基团，被合成并测试作为染料敏化太阳能电池（DSSC）中的光敏剂。新的光敏剂通过 1H 和 13C NMR、UV-Vis 和质谱进行了表征。庞大的丁基咔唑基团避免了酞菁染料的聚集。DFT 研究表明，HOMO 分布在取代酞菁的 - 电子体系中，而 LUMO 位于分子的核心，羧酸基团上有相当大的电子密度分布。新型染料已被用作透明和不透明染料敏化太阳能电池中的光敏剂，其表现出与低 Jsc 相关的低效率。
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