Core modified N-confused pentaphyrin variants with adaptive (anti)aromaticity

IF 4.7 1区化学 Q1 CHEMISTRY, ORGANIC

Organic Chemistry Frontiers Pub Date : 2025-08-28 DOI:10.1039/d5qo01088h

Harapriya Rath, Manik Jana, Gunasekaran Velmurugan, Sumit Sahoo, Peter Comba

引用次数: 0

Abstract

Retrosynthetically designed and syntheses of three unprecedented core modified N-confused pentaphyrins(sapphyrin) possessing E-ethylene bithiophene moiety with tunable Hückel (anti)aromaticity is reported. The solution-state spectroscopic analyses reveal the sustained E-conformation for ethylene moiety. All the three N-confused pentaphyrins exhibited vis-NIR absorption. All possible stereoisomers of the S2N3 hybrid N-confused pentaphyrins 14-16 have been unravelled via thorough DFT studies. Thorough DFT studies supports Hückel π aromaticity of the pentaphyrins 14 and 16 while π-antiaromaticity for 15.

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具有自适应（抗）芳香性的核心修饰n -混淆戊基葡萄素变体

本文报道了三种具有可调抗芳香性（anti - chkel）的e -乙烯双噻吩基团的核修饰n -杂化五葡萄素（sapphyrin）的反合成设计和合成。溶液态光谱分析表明乙烯部分存在持续的e构象。所有三种n混淆的五葡萄素均表现出可见光-近红外吸收。所有可能的立体异构体的S2N3杂化n -混淆五葡萄素14-16已经解开通过彻底的DFT研究。深入的DFT研究支持了5 -葡萄素14和16的h ckel π芳香性，而15的π反芳香性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organic Chemistry Frontiers CHEMISTRY, ORGANIC-

CiteScore

7.90

自引率

11.10%

发文量

686

审稿时长

1 months

期刊介绍： Organic Chemistry Frontiers is an esteemed journal that publishes high-quality research across the field of organic chemistry. It places a significant emphasis on studies that contribute substantially to the field by introducing new or significantly improved protocols and methodologies. The journal covers a wide array of topics which include, but are not limited to, organic synthesis, the development of synthetic methodologies, catalysis, natural products, functional organic materials, supramolecular and macromolecular chemistry, as well as physical and computational organic chemistry.