The lowest singlet and triplet levels of europium(III) methacrylate Eu(Macr)3, including geometry optimization in different excited states, are calculated with the CASSCF/XMCQDPT2 ab initio method. The experimental and calculated data are used to build energy diagrams of Eu(Macr)3 energy levels, describe the luminescence mechanism in the complex, and to reveal the main channels for the dissipation of the electronic excitation energy. Due to the position of its lower triplet levels, europium methacrylate can be used to prepare novel materials with improved optical properties.

中文翻译：

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聚合甲基丙烯酸铕 (III) 的发光激发研究：CASSCF/XMCQDPT2

使用 CASSCF/XMCQDPT2 ab initio 方法计算甲基丙烯酸铕 (III) Eu(Macr)3 的最低单线态和三线态水平，包括不同激发态的几何优化。实验和计算数据用于构建 Eu(Macr)3 能级的能量图，描述复合物中的发光机制，并揭示电子激发能量耗散的主要渠道。由于其较低的三线态水平，甲基丙烯酸铕可用于制备具有改进光学性能的新型材料。