利用溶色法、计算法估算电偶极矩,以及通过优先溶解 6-甲氧基-4-(4-硝基-苯氧基甲基)-2-苯并吡喃酮 (6mnpm) 研究溶剂的影响。

IF 2.6 4区 化学 Q2 BIOCHEMICAL RESEARCH METHODS
Srinath, Omnath Patil, Sulochana Devar, S M Hanagodimath
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引用次数: 0

摘要

室温下,研究了香豆素 6-甲氧基-4-(4-硝基-苯氧基甲基)-苯并吡喃-2-酮(6MNPM)在纯有机溶剂以及乙腈(ACN)和四氢呋喃(THF)混合溶剂中的吸收和荧光特性。通过应用 Kamlet 和 Catalan 的多元线性回归技术、Reichardt 的微观溶剂极性参数和 Lippert-Mataga 极性函数等理论,研究了纯溶剂对光谱特性的影响。在纯溶剂中,溶剂与溶剂之间的相互作用,尤其是介电相互作用和氢键作用,起着重要作用。然而,氢键相互作用在介电相互作用的贡献中占主导地位。利用 Solvatochromic 方法计算了基态和激发态的电偶极矩。激发态电偶极矩的值和发射光谱的红移表明,发射单态具有分子内电荷转移(ICT)特性。通过卡塔兰线性回归,我们发现二极性比极化性的影响要小得多。通过溶解研究,我们得出结论,四氢呋喃溶剂比乙腈更受青睐。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Estimation of Electric Dipole Moment by Solvatochromism, Computational Method, and Study of the Effect of Solvents by Preferential Solvation of 6 - Methoxy-4-(4-Nitro-Phenoxy Methyl)-Chromen-2-One (6mnpm).

At room temperature, the absorption and fluorescence properties of coumarin 6-Methoxy-4-(4-nitro-phenoxy methyl)-chromen-2-one (6MNPM) are investigated in pure organic solvents and a combination of acetonitrile (ACN) and tetrahydrofuran (THF). The pure solvents' influence on spectral characteristics is examined by applying theories such as Kamlet and Catalan's multiple linear regression techniques, Reichardt's microscopic solvent polarity parameter, and the Lippert-Mataga polarity function. The significant role of solute-solvent interactions in pure solvents, particularly dielectric interaction and hydrogen bonding. However, hydrogen bonding interactions dominate the contribution of dielectric interactions. The electric dipole moments of both the ground as well as excited states had been calculated using the Solvatochromic method. The value of the excited state electric dipole moment and the redshifts of the emission spectra show that the emitting singlet state has an intramolecular charge transfer (ICT) character. From Catalan's linear regression, we found that di-polarity has a much smaller influence than polarizability. By solvation study, we conclude that Tetrahydrofuran solvent is preferred over Acetonitrile.

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来源期刊
Journal of Fluorescence
Journal of Fluorescence 化学-分析化学
CiteScore
4.60
自引率
7.40%
发文量
203
审稿时长
5.4 months
期刊介绍: Journal of Fluorescence is an international forum for the publication of peer-reviewed original articles that advance the practice of this established spectroscopic technique. Topics covered include advances in theory/and or data analysis, studies of the photophysics of aromatic molecules, solvent, and environmental effects, development of stationary or time-resolved measurements, advances in fluorescence microscopy, imaging, photobleaching/recovery measurements, and/or phosphorescence for studies of cell biology, chemical biology and the advanced uses of fluorescence in flow cytometry/analysis, immunology, high throughput screening/drug discovery, DNA sequencing/arrays, genomics and proteomics. Typical applications might include studies of macromolecular dynamics and conformation, intracellular chemistry, and gene expression. The journal also publishes papers that describe the synthesis and characterization of new fluorophores, particularly those displaying unique sensitivities and/or optical properties. In addition to original articles, the Journal also publishes reviews, rapid communications, short communications, letters to the editor, topical news articles, and technical and design notes.
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