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计划支持新墨西哥州大学的Martin Kirk教授的一个题为“供体-受体相互作用，长程电子相关和动态自旋操纵：与分子电子学的关系”的项目。“该项目的重点是电子结构对磁性供体-桥-受体双自由基基态性质的贡献。该研究的主要目标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配置如何促进远程电子相关，并开发用于光激发供体-受体分子中激发态动力学自旋控制的新平台。 该研究项目通过增加电子/自旋输运知识库来实现这些目标，并为分子电子材料的电子结构贡献提供新的见解，特别是当它们涉及到可切换的电子转移/传输管道，自旋极化电子传输和量子干涉效应的控制时。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进基于分子电子学的新技术的理解。 该项目推进发现和理解，同时促进教学，培训和学习，通过在课堂上的研究进展，学生在国际会议上的研究报告，并指导参与研究的本科生和高中生。通过新墨西哥州的实验计划，以刺激竞争力的研究（NM EPSCoR）项目，强调更广泛的参与，新墨西哥州（UNM）纳米科学和微系统计划的大学，辅导学生从代表性不足的群体，并在UNM辅导早期职业教师。研究和教育的基础设施正在通过与集成纳米技术中心的联系得到加强，与合作科学家和UNM初级教师共享光谱设施，并为UNM的计算基础设施的改善做出贡献。 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，对社会的潜在利益来自于将基础研究的结果转化为对纳米尺度下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深入理解的能力。

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.