合成四(2-氧苄基)-氢蒽-2-氧基锌钴酞菁:结构、DFT和SEM-EDS研究

IF 2.7 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR
Seda Erdem Cavdan , Nursel Acar-Selcuki , Dogan Kaya , Ahmet Ekicibil , Sevil Sener
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引用次数: 0

摘要

描述了含有两个(2-氧苄基)蒽-二酮基团的新型Zn(II)和Co(II)酞菁配合物(分别为Co-Pc(4)和Zn-Pc(5))的合成反应、结构、光谱和结合特性。在合成3-[(6-羟基-9,10-二氢蒽-2-酰基)酞腈]3之后,在热真空条件下,与锌盐和钴盐在二甲酰胺中化学反应制备了酞菁锌(Zn-Pc) 4和酞菁钴(Co-Pc) 5。SEM图像分析证实了Zn-Pc和Co-Pc化合物的均匀形成,平均尺寸分别为470 nm和69 nm。利用元素分析、紫外-可见光谱、傅里叶变换-红外光谱、1h -核磁共振光谱和Q-TOF质谱对化合物3、4和5进行了表征。此外,利用密度泛函理论(DFT)和时间依赖密度泛函理论(TD-DFT)计算对化合物4和5的结构和电子性质进行了表征。迄今为止已经合成了许多酞菁类化合物,但具有缓蚀剂性质的化合物4的合成在本研究中具有特别重要的意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Synthesized Tetrakis (2-oxy benzylidene) - hyroanthracen-2-yloxy zinc and cobalt (II) Phthalocyanines: Structural, DFT and SEM-EDS study

Synthesized Tetrakis (2-oxy benzylidene) - hyroanthracen-2-yloxy zinc and cobalt (II) Phthalocyanines: Structural, DFT and SEM-EDS study
The Synthesis reaction, structural, spectroscopic, and binding characteristics of new Zn(II) and Co(II) phthalocyanine (Pc) complexes, denoted as Co-Pc (4) and Zn-Pc (5), respectively, containing two (2-oxybenzylidene) anthracene-dione groups, are described. Following the synthesis of 3-[(6-hydroxy-9,10-dihydroanthracen-2-yloxy)phthalonitrile] 3, Zinc Phthalocyanine (Zn-Pc) 4 and Cobalt Phthalocyanine (Co-Pc) 5 were subsequently prepared via chemical reaction with zinc and cobalt salts in dimethylformamide under heat and vacuum conditions. SEM image analysis confirmed homogeneous formation for both Zn-Pc and Co-Pc compounds, with average size of 470 nm and 69 nm, respectively. Compounds 3, 4, and 5 were characterized using elemental analysis, UV–Visible spectroscopy, Fourier Transform-Infrared Spectroscopy, 1H-Nucleer Magnetic Resonans Spectroscopy, and Q-TOF MS. Additionally, Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) calculations were performed to investigate the structural and electronic properties of compounds 4 and 5. Many phthalocyanine compounds have been synthesized to date, however, the synthesis of Compound 4 with corrosion inhibitors properties is particularly significant in this research.
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来源期刊
Inorganica Chimica Acta
Inorganica Chimica Acta 化学-无机化学与核化学
CiteScore
6.00
自引率
3.60%
发文量
440
审稿时长
35 days
期刊介绍: Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.
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