Protonation–deprotonation dynamics of 2-(4’-pyridyl) benzimidazole derivative with cucurbit[6]uril at two different pH

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Supramolecular Chemistry Pub Date : 2021-08-03 DOI:10.1080/10610278.2022.2043550

Vijaykant Khorwal, Riya Kathuria

引用次数: 1

Abstract

ABSTRACT Fluorescence spectroscopy and time-resolved study have successfully explored the impact of supramolecular assembly, cucurbit[6]uril (CB6) on the dynamics of proton transfer in 2-(4’-pyridyl) benzimidazole (4-PBI). It has been observed that the guest molecules are capable of binding in three different states of protonation: cation C, tautomer T, and neutral N. While the acid–base equilibria is altered by the host molecule in the ground and excited states. Binding modes of the dye molecule with cucurbit[6]uril have been investigated by proton NMR spectroscopy. The binding of the guest with the supramolecular host is further confirmed by Quantum chemical calculations. The current study successfully recognises how the convoluted acid–base equilibria of dye molecule (4-PBI) are affected by cucurbit[6]uril (CB6) supramolecular assembly upon complexation. GRAPHICAL ABSTRACT

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2-(4′-吡啶基)苯并咪唑衍生物与葫芦[6]脲在两种不同pH下的质子-去质子动力学

荧光光谱和时间分辨研究成功地探讨了超分子组装，葫芦b[6]uril (CB6)对2-(4 ' -吡啶基)苯并咪唑(4- pbi)中质子转移动力学的影响。观察到客体分子能够在三种不同的质子化状态下结合:阳离子C、互变异构体T和中性n，而宿主分子在基态和激发态下改变酸碱平衡。用质子核磁共振光谱法研究了染料分子与瓜bbbburil的结合模式。量子化学计算进一步证实了客体与超分子宿主的结合。目前的研究成功地认识到在络合过程中，瓜bbbbil (CB6)超分子组装如何影响染料分子(4-PBI)的复杂酸碱平衡。图形抽象

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

Supramolecular Chemistry 化学-化学综合

CiteScore

3.60

自引率

3.00%

发文量

审稿时长

2.7 months

期刊介绍： Supramolecular Chemistry welcomes manuscripts from the fields and sub-disciplines related to supramolecular chemistry and non-covalent interactions. From host-guest chemistry, self-assembly and systems chemistry, through materials chemistry and biochemical systems, we interpret supramolecular chemistry in the broadest possible sense. Interdisciplinary manuscripts are particularly encouraged. Manuscript types include: high priority communications; full papers; reviews, and; Methods papers, techniques tutorials highlighting procedures and technologies that are important to the field. We aim to publish papers in a timely fashion and as soon as a paper has been accepted and typeset it will be published in electronic form on the Latest articles section of the website. The two most important review criteria are that the paper presents high-quality work that fits generally into the broad spectrum of activities in the supramolecular chemistry field. Under normal circumstances, Supramolecular Chemistry does not consider manuscripts that would be more suitable in a highly specialized journal. This includes, but is not limited to, those based mostly or exclusively on topics such as solid state/X-ray structures, computational chemistry, or electrochemistry. . The two most important review criteria are that the paper presents high-quality work that fits generally into the broad spectrum of activities in the supramolecular chemistry field.