The magnetic circular dichroism (MCD) spectra of metal complexes of tetrakis(thiadiazole)porphyrazines ([TTDPzM] with M = 2H^I, Zn^II, Mg^II(H₂O), and Cd^II) have been recorded in dimethyl formamide solution. Together with the UV–Vis spectra, the MCD spectra provide useful information about the structure and electronic properties of the complexes. The experimental UV–Vis and MCD spectra compare pretty well with DFT calculations of two sorts, based either on the sum‐over‐states (SOS) approach or on the complex polarization propagator approach. They further corroborate the findings and interpretation of MCD spectra of porphyrazines based on the model of Michl for peripheral molecular orbitals. Magnetic circularly polarized luminescence (MCPL) spectra, quite uncommon in the literature, have been recorded for [TTDPzM] (M = 2H^I, Zn^II, Mg^II(H₂O)).

中文翻译：

---

通过磁性圆二色性和磁性圆极化发光表征四（噻二唑）卟啉金属配合物。

四（噻二唑）卟啉（[TTDPzM]的M = 2H ^I，Zn ^II，Mg ^II（H ₂ O）和Cd ^II金属配合物的磁圆二色性（MCD）光谱）已被记录在二甲基甲酰胺溶液中。MCD光谱与UV-Vis光谱一起提供了有关配合物的结构和电子性质的有用信息。实验性的UV-Vis和MCD光谱与两种DFT计算（基于和态（SOS）方法或基于复杂偏振传播器方法）的计算结果相比非常好。他们进一步证实了基于Michl外围分子轨道模型的卟啉嗪MCD光谱的发现和解释。[TTDPzM]（M = 2H ^I，Zn ^II，Mg ^II（H ₂ O））的磁圆极化发光（MCPL）光谱在文献中很少见。