X-ray Characterization of core-modified N-confused fused porphyrinogen and genesis of () (anti)Aromatic N-confused fused porphyrinoids

IF 4.6 1区化学 Q1 CHEMISTRY, ORGANIC

Organic Chemistry Frontiers Pub Date : 2024-07-11 DOI:10.1039/d4qo01162g

Harapriya Rath, Manik Jana, Gunasekaran Velmurugan, Peter Comba

引用次数: 0

Abstract

Rational synthesis, spectroscopic and solid-state structural isolation of an unprecedented core modified N-confused fused porphyrinogen 7 as a single isomer has been achieved in near quantitative yield. The solid-state crystal structure reveals a non planar structure as a result of four sp3 meso carbons for 7. All possible stereoisomers of the S2N3 hybrid N-confused fused porphyrinogen 7 have been unravelled via thorough DFT studies. The genesis of the porphyrinogen-porpho(mono/di)methene-porphyrin skeleton rearrangements have been unravelled via controlled chemical oxidation methods. The  and  (anti)aromaticity of the porphyrinoids 9 and 10 have been thoroughly investigated via spectroscopic and in-depth DFT studies.

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核心修饰的 N-混淆融合卟啉原的 X 射线特征和 () （反）芳香族 N-混淆融合卟啉的形成

我们通过合理合成、光谱分析和固态结构分离，以接近定量的收率获得了一种前所未有的单异构体核心修饰 N-混淆融合卟啉原 7。固态晶体结构显示，由于 7 具有四个 sp3 介碳，因此它具有非平面结构。通过深入的 DFT 研究，S2N3 混合 N-confused 融合卟啉原 7 的所有可能的立体异构体都被解开了。卟啉原-卟啉（单/双）甲吩-卟啉骨架重排的成因已通过受控化学氧化方法揭示出来。通过光谱和深入的 DFT 研究，对卟啉类化合物 9 和 10 的  和  （反）芳香性进行了深入研究。

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.

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