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Correlating Electronic and Atomic Motions in Photoinduced Electron-Proton Transfer Reactions with Two-Dimensional Electronic-Vibrational and X-ray Spectroscopies

将光致电子-质子转移反应中的电子和原子运动与二维电子振动和 X 射线光谱关联起来

基本信息

批准号：
1565759
负责人：
Munira Khalil
金额：
$ 44.94万
依托单位：
University of Washington
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2016
资助国家：
美国
起止时间：
2016-06-01 至 2020-05-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1565759&HistoricalAwards=false
关键词：
Correlating Electronic Atomic Motions Photoinduced

项目摘要

In this project funded by the Chemical Structure and Dynamics-A program of the Chemistry Division, Professor Munira Khalil of the University of Washington is developing a microscopic description of how a hydrogen atoms move from a donor to an acceptor following the absorption of light. To meet this experimental challenge, new spectroscopic methods capable of directly measuring the coupling of electronic and atomic motions are developed spanning the electromagnetic spectrum from the infrared (IR) to X-rays. An outreach program developed by Professor Khalil includes a hands-on optics module for middle school girls from STEM-disadvantaged backgrounds in a unique "Girls on Science" program run through the University of Washington's Burke Museum. The broader impacts of this work include training the next generation of scientists in state-of-the-art ultrafast techniques in the laboratory and at synchrotrons and free electron laser sources, creating new femtosecond technologies, and an increased understanding of the photo-induced electron-proton transfer process. This research has two main objectives with a two-pronged experimental approach. The first is to develop the use of novel two-dimensional femtosecond electronic and infrared spectroscopy (2D EV) using a train of two ultraviolet (UV) pulses followed by a broadband mid IR pulse. This will enable the group to directly measure the coupled electronic charge density and the movement of the hydrogen atom in photo-induced coupled electron-proton transfer in model intra and inter-molecular hydrogen bonded complexes. The second thrust is using ultrafast X-ray absorption and Resonant Inelastic X-ray scattering (RIXS) spectroscopy to directly monitor the charge distribution around the hydrogen bond donor and acceptor atoms. The equilibrium X-ray experiments are being conducted at the Advanced Light Source (ALS) and the ultrafast RIXS experiments are conducted at the Linac Coherent Light Source (LCLS). Photo-induced electron-proton transfer is a central reaction in several natural and artificial energy conversion processes. Possible future impacts include the development of new molecules, materials and devices for alternative energy production.

在这个由化学部化学结构和动力学项目资助的项目中，华盛顿大学的Munira Khalil教授正在开发一种微观描述，描述氢原子如何在吸收光后从供体移动到受体。为了应对这一实验挑战，开发了能够直接测量电子和原子运动耦合的新光谱方法，该方法跨越了从红外（IR）到X射线的电磁光谱。哈利勒教授开发的一个外展计划包括一个动手光学模块，用于来自STEM弱势背景的中学女生，这是一个独特的“科学女孩”计划，通过华盛顿大学的伯克博物馆进行。这项工作的更广泛的影响包括在实验室和同步加速器和自由电子激光源中培训下一代科学家最先进的超快技术，创造新的飞秒技术，以及增加对光诱导电子-质子转移过程的理解。本研究有两个主要目标，采用双管齐下的实验方法。第一个是开发使用新的二维飞秒电子和红外光谱（2D EV），使用一系列的两个紫外（UV）脉冲，然后由宽带中红外脉冲。这将使该小组能够直接测量耦合电子电荷密度和模型分子内和分子间氢键复合物中光诱导耦合电子-质子转移中氢原子的运动。第二个推力是使用超快X射线吸收和共振非弹性X射线散射（RIXS）光谱直接监测氢键供体和受体原子周围的电荷分布。平衡X射线实验在先进光源（ALS）上进行，超快RIXS实验在直线加速器相干光源（LCLS）上进行。光诱导电子-质子转移是自然界和人工界能量转换过程中的一个中心反应。未来可能产生的影响包括开发新的分子、材料和装置用于替代能源生产。