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新型非周边八-3-羟丙硫基取代金属酞菁：合成、表征及其电化学、光化学和计算性质研究

Novel nonperipheral octa-3-hydroxypropylthio substituted metallo-phthalocyanines: synthesis, characterization, and investigation of their electrochemical, photochemical and computational properties.

作者信息

Kabay Nilgün, Baygu Yasemin, Ak Metin, Kara İzzet, Kaya EsraNur, DurmuŞ Mahmut, GÖk Yaşar

机构信息

Department of Biomedical Engineering, Pamukkale University, Denizli Turkey.

Tavas Vocational School of Higher Education, Pamukkale University, Denizli Turkey.

出版信息

Turk J Chem. 2021 Feb 17;45(1):143-156. doi: 10.3906/kim-2008-48. eCollection 2021.

DOI:10.3906/kim-2008-48
PMID:33679160
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7925307/
Abstract

The current study describes the synthesis, electrochemical, computational, and photochemical properties of octa (3-hydroxypropylthio) substituted cobalt (II) ( ), copper (II) ( ), nickel (II) ( ) and zinc(II) ( ) phthalocyanine derivatives. These novel compounds were characterized by elemental analysis,H,C NMR, FT-IR, UV-Vis, and MS. The redox behaviors of these metallo-phthalocyanines were investigated by the cyclic voltammetric method. The optimized molecular structure and gauge-including atomic orbital (GIAO)H andC NMR chemical shift values of these phthalocyanines in the ground state had been calculated by using B3LYP/6-31G(d,p) basis set. The outcomes of the optimized molecular structure were given and compared with the experimental NMR values. The photochemical properties including photodegradation and singlet oxygen generation of zinc(II) phthalocyanine were studied in DMSO solution for the determination of its photosensitizer behaviors.

摘要

本研究描述了八（3-羟丙基硫基）取代钴（II）（ ）、铜（II）（ ）、镍（II）（ ）和锌（II）（ ）酞菁衍生物的合成、电化学、计算和光化学性质。这些新型化合物通过元素分析、H、C NMR、FT-IR、UV-Vis和MS进行了表征。采用循环伏安法研究了这些金属酞菁的氧化还原行为。利用B3LYP/6-31G（d，p）基组计算了这些酞菁在基态下的优化分子结构和含规范原子轨道（GIAO）的H和C NMR化学位移值。给出了优化分子结构的结果，并与实验NMR值进行了比较。在DMSO溶液中研究了锌（II）酞菁的光化学性质，包括光降解和单线态氧生成，以确定其光敏剂行为。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/ffab653375f0/turkjchem-45-143-fig011.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/ffab653375f0/turkjchem-45-143-fig011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/f5eda51e2d61/turkjchem-45-143-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/74b4d3daceaf/turkjchem-45-143-fig001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/ac9a068955c1/turkjchem-45-143-fig002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/7dc0712011bf/turkjchem-45-143-fig003.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/f88162307727/turkjchem-45-143-fig006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/735d9ba7c463/turkjchem-45-143-fig007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/8bcd3382a0c2/turkjchem-45-143-fig008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/c08fe6d81bfb/turkjchem-45-143-fig009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/eab3d842a5d0/turkjchem-45-143-fig010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2080/7925307/ffab653375f0/turkjchem-45-143-fig011.jpg

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