NANOSCALE ELECTRON CORRELATION AND FERROMAGNETIC EXCHANGE IN DONOR-ACCEPTOR BIRADICAL SYSTEMS: RELATIONSHIP TO MOLECULAR ELECTRONICS

化学结构，动力学和机制项目支持新墨西哥大学的Martin Kirk教授，他将使用结合光谱，磁性和计算方法来了解具有有机混合价的新供体-受体（D-A）双基和（py）2M（二恶烃-a）2（二恶烃=半醌/儿茶酚酸）扩展阵列的电子结构。所提出的D-A系统是光诱导电子转移过程中产生的电荷分离状态的基态类似物，因此与各种磁性电子传输管道（包括分子整流器和自旋电子器件）直接相关。这项工作的总体重点是使用D-A双基来促进远距离强D-A电子耦合和铁磁交换相互作用。该提案代表了一个简明的研究计划，旨在实现更广泛的长期目标，即增加分子电子传递知识库。这将通过对D-B-A双基中强电子耦合的完整电子结构描述的发展，以及通过理解由离域电子介导的远程铁磁交换的起源来实现。在美国国家科学基金会化学部化学结构、动力学和机制项目的支持下，马丁·柯克博士正在一个非常有趣的领域进行研究。有机和金属有机系统中的远程电荷和能量输运等现象与太阳能转换、电子学和信息处理有关。这项工作将有助于设计新的多功能超分子系统，这些系统可能在磁性、导电、电活性、光活性和自旋电子器件中发挥重要作用。更广泛的影响将包括通过与新墨西哥理工大学和圣何塞州立大学本科课程的合作互动进行教学、培训和学习。新墨西哥大学的多元文化，大约有50%的人没有被充分代表，这使得柯克教授的小组可以由非洲裔、非裔美国人、太平洋岛屿、中国、欧洲和印度血统的学生代表。这些人中大约有一半是女性，其中一些得到了NM-AGEP的支持。NM-AGEP是美国国家科学基金会旨在增加少数族裔科学技术博士人数的项目。

The Chemical Structure, Dynamics and Mechanisms Program supports Professor Martin Kirk at the University of New Mexico who will use a combined spectroscopic, magnetic, and computational approach to understand the electronic structure of new donor-acceptor (D-A) biradicals and (py)2M(dioxolene-A)2 (dioxolene = semiquinone/catecholate) extended arrays that possess organic mixed-valency. The proposed D-A systems are ground state analogues of charge separated states generated in photoinduced electron transfer processes, and therefore have direct relevance to various magnetic electron transport conduits, including molecular rectifiers and spintronic devices. The overarching focus of this work is the use of D-A biradicals to facilitate strong D-A electronic coupling and ferromagnetic exchange interactions over great distances. The proposal represents a concise research plan directed toward the achievement of broader long-range goals of adding to the molecular electron transport knowledge base. This will occur through the development of a complete electronic structure description of strong electronic coupling in D-B-A biradicals and through understanding the origin of long-range ferromagnetic exchange mediated by delocalized electrons.With the support of the Chemical Structure, Dynamics and Mechanisms Program in the Chemistry Division at the National Science Foundation, Dr. Martin Kirk is performing research in an area of enormous interest. Phenomena such as long-range charge and energy transport in organic and metallo-organic systems are relevant to solar-energy conversion, electronics, and information processing. This work will contribute to the design of new multifunctional supramolecular systems that may function as vital components in magnetic, conducting, electroactive, photoactive, and spintronic devices. Broader impacts will involve teaching, training and learning through collaborative interactions with undergraduate programs at New Mexico Tech and San Jose State University. The diverse culture at the University of New Mexico, with approximately 50% underrepresented persons, has allowed Professor Kirk's group to be represented by students of African, African American, Pacific Island, Chinese, European, and Indian heritage. Approximately half of these have been women and some have been supported through NM-AGEP, an NSF program aimed at increasing the number of minority Ph.D.'s in science and technology.