以芳基乙烯基嘧啶支架的发光特性为基准。

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Sergio González-Alfaro, M Paz Fernández-Liencres, Sonia B Jiménez-Pulido, Nuria A Illán-Cabeza, Antonio Sánchez-Ruiz, Joaquín C García-Martínez, Amparo Navarro, Julián Rodríguez-López
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引用次数: 0

摘要

对结构中含有嘧啶环作为引电子分子的推拉分子的光物理特性的探索仍然是一个引人入胜的研究领域。对这些特性的深入研究不仅有助于获得基础知识,还能为合理设计具有应用前景的发射材料提供重要见解。在此背景下,本研究对四个 4,6-双(芳基乙烯基)嘧啶家族进行了深入分析,评估了取代基对芳基和嘧啶环第 2 位的影响。以前的研究主要侧重于溶液研究,而这项工作强调了研究固态光物理的重要性。通过包括光学技术、X 射线衍射和量子化学计算在内的多学科方法,实现了对结构-性质关系的全面理解。这项研究强调了嘧啶类化合物的分子结构、聚集和荧光行为之间错综复杂的相互作用,提供了有价值的见解,具有超越学术领域的广泛意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Benchmarking luminescent properties of the arylvinylpyrimidine scaffold.

The exploration of the photophysical properties of push-pull molecules incorporating pyrimidine rings as electron-attracting moieties in their structure continues to be a fascinating area of investigation. A thorough examination of these properties not only contributes to fundamental knowledge but also provides crucial insights for the rational design of emissive materials in prospective applications. In this context, this work conducts an in-depth analysis of four families of 4,6-bis(arylvinyl)pyrimidines, evaluating the influence of substituents on both the aryl groups and position 2 of the pyrimidine ring. While previous research has primarily focused on solution studies, this work emphasizes the importance of examining solid-state photophysics. Through a multidisciplinary approach encompassing optical techniques, x-ray diffraction, and quantum chemical calculations, a comprehensive understanding of the structure-property relationships is achieved. This study underscores the intricate interplay between molecular structure, aggregation, and fluorescence behavior in pyrimidines, offering valuable insights with broader implications beyond academic realms.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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