Abstract The synthesis and spectroscopic characterization of an innovative ball-type cobalt metallophthalocyanine 4, bridged by four 1,2-bis(2-hydroxymethyl)-O-carborane (HMOC) 1 units, has been achieved. The synthesized compound 4 was characterized structurally and electronically using elemental analysis, UV-Vis absorption spectroscopy, FT-IR spectroscopy, MALDI-TOF mass spectrometry, EPR spectroscopy and magnetic susceptibility. The photovoltaic performance of the newly synthesized compound in dye-sensitized solar cells was investigated. In order to clarify the effect of dye-sensitization time on photovoltaic performance parameters, the sensitization time was varied from 12 to 60 h and the performance parameters were investigated. It was found that sensitization time had a strong effect on the main performance parameters. The best photovoltaic performance was achieved after sensitization for 36 h (short circuit current density, 5.41 mA cm−2; overall conversion efficiency, 3.42%). Computational UV-Vis absorption spectra of the molecule was calculated using time dependent density functional theory and was found consistent with measured UV-Vis spectra.

中文翻译：

---

球型二氧邻碳硼烷桥连钴酞菁：染料敏化太阳能电池作为光敏剂的合成、表征和 DFT 研究

摘要 已经实现了由四个 1,2-双(2-羟甲基)-O-碳硼烷 (HMOC) 1 单元桥接的创新球型钴金属酞菁 4 的合成和光谱表征。使用元素分析、UV-Vis 吸收光谱、FT-IR 光谱、MALDI-TOF 质谱、EPR 光谱和磁化率对合成的化合物 4 进行结构和电子表征。研究了新合成化合物在染料敏化太阳能电池中的光伏性能。为了阐明染料敏化时间对光伏性能参数的影响，敏化时间从 12 小时到 60 小时不等，并对性能参数进行了研究。结果表明，敏化时间对主要性能参数有很大影响。敏化 36 小时后获得最佳光伏性能（短路电流密度，5.41 mA cm-2；总转换效率，3.42%）。使用时间相关密度泛函理论计算分子的计算 UV-Vis 吸收光谱，发现与测量的 UV-Vis 光谱一致。