CAREER: Quantum-State Control on Multidimensional Potential Energy Surfaces

在化学系化学结构，动力学和机制-A（CSDM-A）计划的支持下，威廉和玛丽学院的Nathanael Kidwell将使用先进的分子光谱学和动力学方法研究羟基自由基（OH）与几类碳氢化合物的双分子反应途径。存在一个知识差距，在确定大分子系统的反应性和非反应性途径的困难。该项目的目标是描述碰撞分子的方向和核运动如何影响所遵循的路径。该研究旨在了解OH自由基与碳氢化合物的双分子碰撞的基本相互作用和结果，这些碳氢化合物具有越来越多的化学复杂性。这些研究将探测碰撞伙伴之间的相互作用潜力，而不受其他分子的干扰，目的是更好地了解OH自由基在大气和燃烧化学中的氧化反应中的作用。除了培养学生现代激光技术和分析方法，Kidwell研究小组的成员将让本科生和高中生使用无人机支持的Raspberry Pi大气传感器进行大气垂直剖面分析。该项目将应用基于激光的光谱学和速度图成像技术，以深入了解OH和碳氢化合物之间的分子间相互作用。原子目标的化学和多态复杂性不断增加。除了在氧化反应中是重要的链载体之外，OH自由基在大气和燃烧化学模拟中是关键的反应中间体。此外，碳氢化合物是大气化学和燃烧化学的核心，由OH自由基碰撞引发的碳氢化合物氧化是表征碳氢化合物去除的关键第一步。在单碰撞条件下，目标分子复合物将具有异构体特异性并具有模式选择性活化以揭示双分子碰撞结果。 目的研究多维反应和非反应势能面的非绝热效应和拓扑特征。该项目将为学生提供先进的培训和学习机会，以促进职业成功，并将促进与近同行的指导外展活动。该奖项反映了NSF的法定使命，并已被认为是值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估的支持。

With support from the Chemical Structure, Dynamics, and Mechanisms-A (CSDM-A) program in the Division of Chemistry, Nathanael Kidwell of the College of William and Mary will use advanced molecular spectroscopy and dynamics methods to study the bimolecular reaction pathways of hydroxyl radicals (OH) with several classes of hydrocarbons. There exists a knowledge gap arising from the difficulty in identifying the reactive and nonreactive pathways for large molecular systems. The goal of this project is to characterize how the orientation and nuclear motions of the colliding molecules impact which pathway is followed. The research seeks to understand the fundamental interactions and outcomes from bimolecular collisions of OH radicals with hydrocarbons with increasing chemical complexity. These studies will probe the interaction potential between the collision partners without interference from other molecules with the goal of better understanding the roles of OH radicals in oxidation reactions in atmospheric and combustion chemistry. In addition to training students in modern laser technology and analysis approaches, members of the Kidwell research group will engage undergraduate and high school students in vertical profiling of the atmosphere using drone-enabled Raspberry Pi atmospheric sensors.This project will apply laser-based spectroscopy and velocity map imaging techniques to obtain insights into the intermolecular interactions between OH and hydrocarbon/atomic targets with increasing chemical and multistate complexity. In addition to being important chain carriers in oxidation reactions, OH radicals are pivotal reactive intermediates in atmospheric and combustion chemistry modeling. Additionally, hydrocarbons are central to both atmospheric chemistry and combustion chemistry, and their oxidation initiated by OH radical collisions is a critical first step in characterizing their removal. Under single-collision conditions, the targeted molecular complexes will be characterized with isomer-specificity and activated with mode-selectivity to reveal bimolecular collision outcomes. Objectives are to study nonadiabatic effects and topological features on multidimensional reactive and nonreactive potential energy surfaces. The project will provide advanced training and learning opportunities for students to catalyze career success and will foster outreach activities with near-peer instruction.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.