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A novel AB3-type trimeric zinc(II)-phthalocyanine as an electrochromic and optical limiting material.
Dalton Transactions ( IF 4 ) Pub Date : 2020-08-25 , DOI: 10.1039/d0dt02460k
Sebile Işık Büyükekşi 1 , Ahmet Karatay 2 , Efe Baturhan Orman 3 , Nursel Açar Selçuki 4 , Ali Rıza Özkaya 3 , Bekir Salih 5 , Ayhan Elmali 2 , Abdurrahman Şengül 1
Affiliation  

Recent advances in the practical applications of metallophthalocyanines (MPcs) in different technological fields have stimulated us to design and synthesize a new asymmetric AB3-type trimeric zinc(II)-phthalocyanine (1). This bulky and high molecular weight compound was characterized by elemental analysis, 1H, 13C DEPT, and 1H-1H NOESY NMR, HR MALDI-TOF mass spectrometry, UV-vis, and FT-IR (ATR) techniques. In-depth electrochemical studies show that 1 displays quasi-reversible three one-electron reductions and two one- or two-electron oxidation processes, rather than any redox processes including the transfer of three-electrons in one-step. Besides this, in situ spectroelectrochemical measurements suggest the good application potential of 1 as an electrochromic material in display technologies. A study of the nonlinear optical properties (NLOs) of 1 reveals that the poly(methylmethacrylate) (PMMA) composite film displays a much larger nonlinear absorption coefficient and a lower saturable absorption threshold for optical limiting when compared to the same Pc molecules in solution. Ultrafast transient absorption measurements reveal the intersystem crossing mechanism. Density functional theory (DFT) was used for the geometry optimizations and time dependent-DFT (TD-DFT) for HOMO/LUMO energies and electronic transitions for 1.

中文翻译:

新型AB3型三聚体锌(II)-酞菁作为电致变色和光学限制材料。

金属酞菁在不同技术领域的实际应用中的最新进展刺激了我们设计和合成新的不对称AB 3型三聚体锌(II)-酞菁(1)。通过元素分析,1 H,13 C DEPT和1 H- 1 H NOESY NMR,HR MALDI-TOF质谱,UV-vis和FT-IR(ATR)技术对这种体积大的高分子量化合物进行了表征。深入的电化学研究表明1显示准可逆的三个一电子还原和两个一或两个电子氧化过程,而不是任何包括一步转移三电子的氧化还原过程。除此之外,原位光谱电化学测量表明1作为电致变色材料在显示技术中的良好应用潜力。非线性光学性质的研究的(NLOS)1揭示了与溶液中相同的Pc分子相比,聚(甲基丙烯酸甲酯)(PMMA)复合膜显示出更大的非线性吸收系数和更低的饱和光阈值,以限制光学。超快速瞬态吸收测量揭示了系统间交叉机制。密度泛函理论(DFT)用于几何优化,时间依赖DFT(TD-DFT)用于HOMO / LUMO能量和1的电子跃迁。
更新日期:2020-10-20
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