DONOR-ACCEPTOR INTERACTIONS, LONG-RANGE ELECTRON CORRELATION, AND DYNAMIC SPIN MANIPULATION: RELATIONSHIP TO MOLECULAR ELECTRONICS

化学结构、动力学和机制B项目支持新墨西哥大学的马丁·柯克教授的一个项目，该项目的标题是“供体-受体相互作用、长程电子关联和动态自旋操纵：与分子电子学的关系”。该项目的重点是电子结构对磁性施主-桥联-受主双自由基基态性质的贡献。这项研究的主要目的是了解激发态对桥介导的电子耦合的贡献，了解开壳层激发态单重态构型如何促进长程电子关联，并开发新的自旋控制平台来控制光激发给体-受体分子的激发态动力学。该研究项目正在通过增加电子/自旋输运知识库并对电子结构对分子电子材料的贡献提供新的见解来实现这些目标，特别是当它们与可开关电子转移/转移管道、自旋极化电子转移以及量子干扰效应的控制有关时。这些研究活动广泛地影响了我们对分子和基于分子的系统如何推动基于分子电子学的新技术的理解。该项目通过将研究进展融入课堂、在国际会议上发表学生研究报告以及指导参与研究的本科生和高中生，在促进发现和理解的同时促进教学、培训和学习。通过新墨西哥州激发竞争性研究的实验计划(NM EPSCoR)项目、新墨西哥大学(UNM)纳米科学和微系统计划、指导代表人数不足的群体的学生以及指导UNM职业生涯早期的教职员工，强调了更广泛的参与。通过与综合纳米技术中心合作，加强研究和教育基础设施，与合作的科学家和UNM初级教员共享光谱学设施，并为改善UNM的计算基础设施作出贡献。新的研究成果不断注入课堂环境，有助于研究成果的广泛传播。最后，对社会的潜在好处来自于有能力将基础研究的结果转化为对纳米级分子电子系统中的电子和自旋输运、长程相互作用和激发态动力学的更多了解。

The Chemical Structure, Dynamics and Mechanisms B Program supports Professor Martin Kirk of the University of New Mexico for a project entitled "Donor-Acceptor Interactions, Long-Range Electron Correlation, and Dynamic Spin Manipulation: Relationship To Molecular Electronics." The project focuses on electronic structure contributions to the ground state properties of magnetic donor-bridge-acceptor biradicals. The primary goals of the research are to understand excited state contributions to bridge mediated electronic coupling, understand how open-shell excited state singlet configurations promote long-range electron correlation, and develop new platforms for spin control of excited state dynamics in photoexcited donor-acceptor molecules. The research project is achieving these goals by adding to the electron/spin transport knowledge base and providing new insight into electronic structure contributions to molecular electronic materials, particularly as they relate to switchable electron transfer/transport conduits, spin-polarized electron transport, and the control of quantum interference effects. These research activities broadly impact our understanding of how molecular and molecule-based systems can advance new technologies based on molecular electronics. The project advances discovery and understanding while promoting teaching, training, and learning through incorporation of research advancements in the classroom, student research presentations at international meetings, and mentoring undergraduate and high school students who are involved in the research. Broader participation is emphasized through New Mexico's Experimental Program to Stimulate Competitive Research (NM EPSCoR) projects, The University of New Mexico (UNM) Nanoscience and Microsystems program, mentoring students from underrepresented groups, and mentoring early career faculty members at UNM. Infrastructure for research and education is being enhanced through an association with the Center for Integrated Nanotechnologies, sharing spectroscopy facilities with collaborating scientists and UNM junior faculty, and contributing to improved computing infrastructure at UNM. New research results are constantly being injected into the classroom environment, which contributes to the broad dissemination of research results. Finally, potential benefits to society derive from the ability to transform the results of the basic research to an increased understanding of electron and spin transport, long-range interactions, and excited state dynamics in molecular electronic systems at the nanoscale.