Novel Binding of Beryllium to Dicarboxyimidazole-Based Model Compounds and Polymers

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• 作者：Paul G. Plieger ; Deborah S. Ehler ; Brandy L. Duran ; Tammy P. Taylor ; Kevin D. John ; Timothy S. Keizer ; T. Mark McCleskey ; Anthony K. Burrell ; Jeffrey W. Kampf ; Thomas Haase ; Paul G. Rasmussen ; and Jen
• 刊名：Inorganic Chemistry
• 出版年：2005
• 出版时间：August 8, 2005
• 年：2005
• 卷：44
• 期：16
• 页码：5761 - 5769
• 全文大小：267K
• 年卷期：v.44,no.16(August 8, 2005)
• ISSN：1520-510X

文摘

The ligand 4,5-dicarboxyimidazole (H₂DCI) and its methyl derivative 1-methyl-4,5-dicarboxyimidazole (H₂MDCI)have been shown to bind to Be(II) forming a zwitterionic species that has been structurally characterized. A newdicarboxyimidazole-based polymer has been prepared and its Be-binding properties have been studied using NMR(¹H and ⁹Be) and fluorescence spectroscopy; it represents a rare example of beryllium binding to a polymer.Models of the mononuclear and polymeric Be(II)-binding sites have been studied using density functional theory(DFT), and the ⁹Be NMR chemical shifts of these model materials have been calculated for the purpose of directcomparison to experimentally observed values. Differences in the binding modes of the mononuclear and polymericspecies are discussed.