期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1291, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2023.136056
关键词
Salicylamide-imide ligand; Pyrazolinone; ZnII-LnIII heterometallic compounds; Visible to near-infrared emission; TD-DFT calculations for excited states
Researchers have successfully developed five heterometallic compounds based on ZnII-LnIII, which exhibit excellent optical outputs due to their unique structural features and electronic properties. These compounds provide important insights for designing novel luminescent materials through molecular construction and energy level design.
Considering the fascinating structural feature and special electronic property of heterometallic compounds, it is highly desirable but challenging to develop heterometallic species with excellent optical outputs. To this end, five ZnII-LnIII heterometallic compounds with the chemical composition of [Zn2Ln2(HL)2L2(NO3)4]& BULL; xCH3OH & BULL;yCH3CN & BULL;zH2O (Zn2Ln2, LnIII = PrIII, NdIII, GdIII, TbIII and ErIII) based on ligand H2L, where 3-methox-ysalicylamide and phenyl-substituted pyrazoloneimide are spaced by propylidene, have been developed. Single crystal analysis demonstrate that the new family of heterometallic compounds are all windmill-like ZnII-LnIII heterometallic species, where two fully deprotoned ligands L2 ¡ with & mu;3-11:11:11:12:11 coordination mode in enol form and two partly deprotoned ligands HL ¡ with & mu;2-11:11:12 coordination mode in keto form are anchored by two ZnII and two LnIII ions. The luminescence studies indicate that the ZnII-L2 ¡-HL ¡ chromophore acts as a good antenna for sensitizing the visible emission of TbIII and near infraed emission of PrIII, NdIII and ErIII ions effec-tively as the result of its well matched triplet state. Experimental and computational studies on the energy level of the ZnII-incorporated antenna are performed for validating the energy transfer efficiency in these ZnII-LnIII heterometallic compounds. The results presented herein has important significance for the development of structural novel and luminescent ZnII-LnIII heterometallic compounds with wide emission ranges.
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