Donor-Acceptor Interactions and Their Relationship to Molecular Electronics and Excited State Processes.

在化学系化学结构、动力学与机理B项目资助的本课题中，Martin L.新墨西哥州大学化学和化学生物学系的柯克正在研究电子活性分子如何用于分子电子学和其他基于分子的技术。Kirk教授正在研究（1）电子如何流过分子并被控制，（2）分子的结构如何影响其对光的吸收，以及（3）光被吸收后分子激发态的性质。该研究是跨学科的，定位于有机，无机和物理化学的界面，并为下一代科学家的教育和培训提供了更好的机会。柯克教授参与教学，培训和指导学生研究人员，包括那些来自代表性不足的群体。 他还参加了在新墨西哥州的外展项目，包括与阿尔伯克基探险！该项目的目标集中于使用创造性设计的磁交换耦合供体-桥-受体双自由基系统来探索（1）分子量子干涉和分子整流，（2）各向异性共价诱导的自旋轨道耦合对激发态寿命的贡献，以及（3）激发态磁交换相互作用如何影响磁光活性，自旋极化和激发态弛豫途径。该项目利用理论和计算增强的组合光谱方法来解决这些问题。关于分子电子传输现象，施主桥受体电子耦合的背景下的分子电导进行了研究，以测试最近的理论假设和比较的结果，已获得的设备条件下。这项工作可能会直接影响分子电子学领域。 通过各向异性共价的自旋轨道耦合的调制影响光激发态中控制弛豫速率和途径的能力。使用磁性圆二色性和瞬态光谱的工作揭示了源自光激发的复杂多自旋激发态磁交换相互作用的本质。该研究有助于更好地理解激发态磁性，激子-极化子耦合和太阳能转换。该项目推进了供体-受体相互作用领域的知识和理解，并大大有助于理解分子电子学，激发态寿命的原子级控制以及激发态过程的自旋效应。

In this project funded by the Chemical Structure, Dynamics and Mechanism B Program of the Chemistry Division, Professor Martin L. Kirk of the Department of Chemistry and Chemical Biology at the University of New Mexico is studying how electronically active molecules can be used in molecular electronics and other molecule-based technologies. Prof. Kirk is studying (1) how electrons flow through the molecules and can be controlled, (2) how the structures of the molecules affect their absorption of light, and (3) the nature of the molecules' excited states after light has been absorbed. The research is interdisciplinary and positioned at the interface of organic, inorganic, and physical chemistry and is providing enhanced opportunities for the education and training of next generation scientists. Professor Kirk is involved in teaching, training and mentoring student researchers, including those from underrepresented groups. He is also participating in outreach projects in New Mexico including those associated with the Albuquerque Explora! Museum and NanoDays.The project goals focus on using creatively designed magnetic exchange coupled Donor-Bridge-Acceptor biradical systems to explore (1) molecular quantum interference and molecular rectification, (2) anisotropic covalency induced spin orbit coupling contributions to excited state lifetimes, and (3) how excited state magnetic exchange interactions affect magneto-optical activity, spin polarization, and excited state relaxation pathways. The project utilizes a combined spectroscopic approach augmented by theory and computations to address these problems. Regarding molecular electron transport phenomena, Donor-Bridge-Acceptor electronic coupling in the context of molecular conductance is studied in order to test recent theoretical hypotheses and compare results to those that have been obtained under device conditions. This work could directly impact the molecular electronics field. Modulation of spin orbit coupling through anisotropic covalency impacts the ability to control relaxation rates and pathways in photoexcited states. Work using magnetic circular dichroism and transient spectroscopies reveals the nature of complex multi-spin excited state magnetic exchange interactions that derive from photoexcitation. The research contributes to a greater understanding of excited state magnetism, exciton-polaron coupling, and solar energy conversion. The project advances knowledge and understanding in the field of donor-acceptor interactions and contribute substantially to the understanding of molecular electronics, atom level control of excited state lifetimes, and spin effects on excited state processes.