Abstract

A novel organic-inorganic hybrid multifunctional crystalline material, 2-nitrobenzyl triphenylphosphonium tetrabromocobaltate(II) [2-NO₂BzTPP]₂[CoBr₄](1), has been synthesized using [2-NO₂BzTPP]Br and CoBr₂ in methanol solution acidified with hydrobromic acid and characterized using single-crystal X-ray diffraction and spectroscopic techniques. The single-crystal X-ray diffraction analysis showed that the hybrid [2-NO₂BzTPP]₂[CoBr₄](1) belongs to the triclinic space group \(P\bar{1}\) with a = 11.1815(17) Å, b = 12.954(2) Å, c = 19.426(3) Å, α = 99.312(5)°, β = 100.654(5)°, γ = 113.746(5)°, V = 2442.3(7) Å³, Z = 2, which consists of two [2-NO₂BzTPP]⁺ cations and a [CoBr₄]^2– anion. The Co(II) ion in the [CoBr₄]^2– anion is coordinated to four Br^– ions and has a tetrahedral geometry. The C–H⋯O hydrogen bonds, O⋯π and O⋯Br interactions in the crystal can favor crystal stacking and stabilization. The bulk phase purity, homogeneity, and morphology of the desired compound are checked using powder XRD, and SEM-EDX analysis. The hybrid crystal showed an emission peak near 468 nm at room temperature under the excitation of UV light at 241 nm. The low energy gap (2.85 eV) indicated that the crystal was a semiconductor suitable for optical applications. Furthermore, the compound exhibited good bactericidal activity against E. coli and S. aureus.

中文翻译：

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2-硝基苄基三苯基鏻四溴钴(II)的合成、晶体结构、光学及抗菌性能

摘要

_{以[2-NO 2} BzTPP] Br和CoBr ₂为原料，合成了一种新型有机-无机杂化多功能晶体材料2-硝基苄基三苯基鏻_{四溴钴酸(II)[ 2 -NO 2} BzTPP] 2 [CoBr 4 ] ( 1 )。用氢溴酸酸化甲醇溶液，并使用单晶 X 射线衍射和光谱技术进行表征。单晶X射线衍射分析表明杂化物[2-NO ₂ BzTPP] ₂ [CoBr ₄ ]( 1 )属于三斜空间群\(P\bar{1}\)，a  = 11.1815(17 ) 埃, b =  12.954(2) 埃, c =  19.426(3) 埃, α  =  99.312(5)°, β  =  100.654(5)°, γ  =  113.746(5)°, V  = 2442.3(7) 埃³，Z = 2，由两个[2-NO ₂ BzTPP] ⁺阳离子和一个[CoBr ₄ ] ^2–阴离子 组成。_{[CoBr 4} ] ^2–阴离子中的 Co(II) 离子与四个 Br ^–离子配位，具有四面体几何形状。晶体中的C-H⋯O氢键、O⋯π和O⋯Br相互作用有利于晶体堆积和稳定。使用粉末 XRD 和 SEM-EDX 分析检查所需化合物的体相纯度、均匀性和形态。该杂化晶体在室温下在241 nm紫外光激发下显示出468 nm附近的发射峰。低能隙（2.85 eV）表明该晶体是适合光学应用的半导体。此外，该化合物对大肠杆菌和金黄色葡萄球菌表现出良好的杀菌活性。