Very-High-Spin Organic Polyradicals and Chiral Alpha-Conjugated Systems

极高自旋有机多自由基和手性α共轭体系

• 批准号: 9806954
• 负责人: Andrzej Rajca
• 金额: $ 53.39万
• 依托单位: University of Nebraska-Lincoln
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-08-15 至 2002-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9806954&HistoricalAwards=false
• 关键词: Very; Spin; Organic; Polyradicals; Chiral

This research focuses on the development of new synthetic methodologies for the synthesis of novel mesoscopic molecular architectures that serve as scaffolds for very-high-spin polyradicals, and the experimental and computational characterization of the polyradicals. The principles of fractal geometry will be applied to achieve connectivities differing from those obtainable with the current dendritic approach. MNDO, EHT and MM3 molecular calculations of the electronic structure of these, and mesoscopic systems possessing chiral pi-conjugated systems, will be correlated with measurements of the magnetic and electronic properties of the two- and three-dimensional polyradicals to achieve spin-coupled organic magnets with high Curie temperatures. Graduate and postdoctoral students carrying out the experiments will be trained in the synthesis of molecules of mesoscopic dimensions, and the experimental and theoretical characterization of their electronic properties. With this award, the Organic and Macromolecular Chemistry Program and the Advanced Materials Program support the educational and research activities of Dr. Andrzej Rajca of the Chemistry Department at the University of Nebraska. Dr. Rajca will focus his research efforts on developing synthetic routes to relatively large molecules, referred to as mesoscopic molecules. These multi-dimensional molecules serve as scaffolds for a relatively large number of sites possessing an unpaired electron, and are key intermediates in the development of organic magnets. Dr. Rajca will correlate the magnetic properties of these mesoscopic molecules with theoretical analyses to achieve organic materials that exhibit room temperature magnetic properties. Dr. Rajca's educational activities involve training graduate and postdoctoral students in the synthetic methodology needed to achieve molecules of mesoscopic dimensions, and their experimental and theoretical characterization.

本研究的重点是开发新的合成方法 用于合成新的介观分子结构， 作为超高自旋聚合自由基的支架，实验和 多自由基的计算表征。 的原则 分形几何将被应用于实现不同的连通性 与用当前的树枝状方法可获得的那些不同。 MNDO，EHT 和MM3分子计算的电子结构，以及 具有手性π共轭体系的介观体系，将是 相关的磁性和电子性质的测量， 二维和三维多自由基，以实现自旋耦合 具有高居里温度的有机磁体。 研究生和博士后 进行实验的学生将接受综合训练， 分子的介观尺寸，和实验和理论 表征其电子性质。 有了这个奖项，有机和高分子化学计划和 先进材料计划支持教育和研究 化学系的Andrzej Rajca博士的活动 内布拉斯加大学。 Rajca博士将把他的研究重点放在 开发合成相对较大分子的合成路线， 介观分子 这些多维分子作为 支架相对大量的网站拥有不成对的 电子，是有机化学发展中的关键中间体。 磁铁。 拉杰卡博士会把这些物质的磁性 介观分子与理论分析，以实现有机 具有室温磁性的材料。 博士 Rajca的教育活动包括培养研究生和博士后 学生在合成方法需要实现的分子 介观尺寸，以及它们的实验和理论 特征化