Bromo- and iodobismuthates of l-proline with a (A+···A+) type dimeric and a new type of tetrameric cations

IF 2.2 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Structural Chemistry Pub Date : 2025-07-29 DOI:10.1007/s11224-025-02570-y

Aram M. Petrosyan, Gerald Giester, Ashkhen L. Zatikyan, Vahram V. Ghazaryan

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引用次数: 0

Abstract

Two halogenobismuthate salts of l-proline (l-Pro), (l-ProH)₂(BiBr₅) (I) (space group P2₁2₁2₁) and [(l-ProH)₃(l-Pro)](BiI₆) (II) (space group P2₁) were synthesized. The structure determination showed that in salt (I), l-prolinium cations form an (A⁺···A⁺) type dimeric cation (l-ProH···l-ProH)(BiBr₅). This is the first observation of such a dimeric unit for l-proline. The BiBr₅²⁻ anion exhibits a polymeric chain structure. In the structure of salt (II), three l-prolinium cations are linked by strong hydrogen bonds with the carboxylate group of zwitterionic l-proline, thus forming a specific type of tetrameric cation [(l-ProH)₃···l-Pro](BiI₆). The BiI₆³⁻ anion is discrete. Obtained crystals were characterized by infrared and Raman spectra. Their electronic structures were calculated by the DFT method based on their crystal arrangement and bandgaps were experimentally measured using powder diffuse reflectance spectroscopy.

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l-脯氨酸的溴和碘铋酸盐具有（a +···a +）型二聚体和新型四聚体阳离子

合成了l-脯氨酸（l-Pro）、（l-ProH）2(BiBr5) (I)（空间群P212121）和[(l-ProH)3(l-Pro)](BiI6) (II)（空间群P21）两种卤代双酸盐。结构测定表明，在盐(I)中，l-脯氨酸阳离子形成（A+···A+）型二聚体阳离子（l-ProH··l-ProH）（BiBr5）。这是第一次观察到l-脯氨酸的这种二聚体单位。BiBr52−阴离子呈聚合链结构。在盐（II）的结构中，三个l-脯氨酸阳离子与两性离子l-脯氨酸的羧酸基团通过强氢键连接，从而形成一种特殊类型的四聚体阳离子[(l-ProH)3···l-Pro]（BiI6）。BiI63−阴离子是离散的。用红外光谱和拉曼光谱对所得晶体进行了表征。利用DFT方法计算了它们的电子结构，并用粉末漫反射光谱实验测量了它们的带隙。

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来源期刊

Structural Chemistry 化学-化学综合

CiteScore

3.80

自引率

11.80%

发文量

227

审稿时长

3.7 months

期刊介绍： Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry. We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.