CAREER: Detecting Quantum Signatures in Nonadiabatic Molecular Dynamics

职业：检测非绝热分子动力学中的量子特征

• 批准号: 2340180
• 负责人: Melanie Reber
• 金额: $ 67.5万
• 依托单位: University of Georgia Research Foundation Inc
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-01-01 至 2028-12-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2340180&HistoricalAwards=false
• 关键词: CAREER; Detecting; Quantum; Signatures; Nonadiabatic

With support from the Chemical Structure, Dynamics, and Mechanisms A (CSDM-A) program in the Division of Chemistry, Melanie Reber of the University of Georgia is developing methods capable of measuring transient changes in the absorption spectra of molecules in the gas phase. Gas phase measurements, specifically in a molecular beam, allow for detailed study of the role of vibrations in excited state processes with a direct comparison to theoretical predictions. Molecular beams provide a cold and controlled environment for generating and studying small molecules but require high detection sensitivity due to the low number densities. Professor Reber and her students will use optical enhancement cavities to increase the detection sensitivity of ultrafast transient absorption spectroscopy. Their discoveries could lead to a more complete understanding of conical intersections in vibrational excited states of organic molecules and radicals. As part of the educational component, Dr. Reber will explore how the use of art and music in teaching science impacts student learning and retention of students from all backgrounds. The students involved in the project will gain highly technical training in lasers, optics, and electronics relevant to a range of high technology fields including quantum technologies. To broaden participation and awareness of the interdisciplinary fields of physical chemistry and quantum science, Dr. Reber will teach a class for incoming first-year undergraduate students to introduce them to the science, technology, and application of quantum science.The project will look at the molecular dynamics around conical intersections with both ultrafast time resolution and high spectral resolution for a detailed characterization of the dynamics. This includes the development of new instrumental techniques that study ultrafast dynamics of molecules in the gas phase with both ultrafast time resolution and high-resolution detection. The team uses ultrafast frequency comb fiber lasers in the visible and infrared spectral regions and couples them to external optical enhancement cavities to increase the signal. This enables study of dilute species in molecular beams with ultrafast transient absorption spectroscopy. Dual comb detection techniques will be developed to provide quantum-state resolution on the absorption spectra of the resultant species. The overarching objective is to study conical intersections in excited electronic states and conical intersections between vibrational states, such as Jahn-Teller interactions. This study aims to provide a detailed description of the dynamics in the gas phase for direct comparison with theory and a more complete picture of the quantum effects in the dynamics.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.

在化学系化学结构、动力学和机制A（CSDM-A）项目的支持下，格鲁吉亚大学的梅勒妮·雷伯正在开发能够测量气相分子吸收光谱瞬态变化的方法。气相测量，特别是在分子束中，可以详细研究振动在激发态过程中的作用，并与理论预测进行直接比较。分子束为产生和研究小分子提供了一个冷的和受控的环境，但由于低的数密度，需要高的检测灵敏度。Reber教授和她的学生将使用光学增强腔来提高超快瞬态吸收光谱的检测灵敏度。他们的发现可能会导致对有机分子和自由基振动激发态中锥形交叉点的更完整的理解。作为教育部分的一部分，Reber博士将探讨艺术和音乐在科学教学中的使用如何影响学生的学习和来自各种背景的学生的保留。 参与该项目的学生将获得与包括量子技术在内的一系列高科技领域相关的激光，光学和电子方面的高技术培训。为了扩大对物理化学和量子科学跨学科领域的参与和认识，Reber博士将为即将入学的一年级本科生开设一门课程，向他们介绍量子科学的科学、技术和应用。该项目将研究圆锥形交叉点周围的分子动力学，同时具有超快时间分辨率和高光谱分辨率，以详细描述动力学特征。这包括开发新的仪器技术，以超快时间分辨率和高分辨率探测研究气相中分子的超快动力学。该团队在可见光和红外光谱区域使用超快频率梳状光纤激光器，并将其耦合到外部光学增强腔以增加信号。这使得在分子束中用超快瞬态吸收光谱研究稀组分成为可能。双梳检测技术将被开发，以提供量子态的吸收光谱上的所得物种的分辨率。首要目标是研究激发电子态的锥形交叉点和振动态之间的锥形交叉点，如Jahn-Teller相互作用。这项研究的目的是提供一个详细的描述动力学在气相中的直接比较与理论和量子效应在dynamics.This奖项反映了NSF的法定使命的更完整的图片，并已被认为是值得通过评估使用基金会的智力价值和更广泛的影响审查标准的支持。