A new compound (MQ)(CdBr₄) (1; MQ²⁺ = N-Me-4,4′-bipyridinium), in which the MQ²⁺ was generated in situ, has been synthesized via hydrothermal reaction. The title compound features an isolated structure, based on discrete MQ²⁺ moieties and tetrahedral cadmium atoms terminally coordinated by four bromine atoms. The MQ²⁺ moieties and tetrabromo-cadmium dianions are linked via hydrogen bonds. Photoluminescent investigation reveals that the title compound displays a strong blue-light emission, which is attributed to a ligand-to-ligand charge-transfer (LLCT; from the HOMO of the bromine atoms to the LUMO+1 of the MQ²⁺ moieties) mechanism probed by molecular orbital (MO) calculations.

中文翻译：

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MQ 2+原位生成（MQ 2+ = N -Me-4,4'-联吡啶）（MQ）（CdBr 4）的合成，结构，光致发光和理论研究

通过水热反应合成了其中原位生成MQ ²⁺的新化合物（MQ）（CdBr ₄）（1 ; MQ ²⁺ = N-Me-4,4'-联吡啶鎓）。标题化合物具有独立的结构，该结构基于离散的MQ ²⁺部分和末端由四个溴原子配位的四面体镉原子。MQ ²⁺部分和四溴-镉双阴离子通过氢键连接。光致发光研究表明，标题化合物显示出强烈的蓝光发射，这归因于配体到配体的电荷转移（LLCT;从溴原子的HOMO到MQ ²⁺的LUMO + 1 分子轨道（MO）计算探讨的机理）。