Novel Relaxation-Assisted 2DIR Spectroscopy Method: Bond Connectivity, Mechanical Coupling, and Vibrational Energy Transport

这项研究项目由伊戈尔·鲁布佐夫教授指导，并得到实验物理化学计划的支持，旨在开发一种与化学和生物化学相关的新的驰豫辅助二维红外光谱方法(RA 2DIR)，该方法将用于各种有机和无机分子体系的结构测量。该方法允许测量复杂分子中的长程键连接性模式。该项目的目的是了解分子在埃尺度上的振动能量在各种结构基元中的传输，这对于RA 2DIR方法的实际应用和进一步发展是必不可少的。RA2DIR的能量到达时间等可观测值与振动模之间的距离之间的关联将成为研究的目标。Rubtsov团队的目标是将RA 2DIR开发成用于表征分子结构的常规分析技术。几名本科生和五名研究生将在这个研究项目中接受培训，并从这个跨学科项目中受益。PI将在分子光谱学课程中实施这一项目产生的新发现，并将设计一个关于2DIR光谱学的实验，这将是每年为本科生教授的仪器分析课程的一部分。

This research project, directed by Professor Igor Rubtsov and supported by the Experimental Physical Chemistry Program, is aimed at developing a novel relaxation-assisted two-dimensional infrared spectroscopy method (RA 2DIR) relevant to chemistry and biochemistry that will be useful for structural measurements for various organic and inorganic molecular systems. The method permits measuring long-range bond connectivity patterns in complex molecules. The project will aim at understanding the transport of vibrational energy in molecules on angstrom scales in various structural motifs, which is essential for practical use and further development of the RA 2DIR method. The correlations of the observables of RA 2DIR, such as energy arrival times, with the distances between the vibrational modes will be targeted. It is the Rubtsov team's goal to develop RA 2DIR into a routine analytical technique for the structural characterization of molecules. Several undergraduate and five graduate students will be trained in this research program and benefit from this interdisciplinary project. The PI will implement the new discoveries resulting from this project in the course on Molecular Spectroscopy and will design an experiment on 2DIR spectroscopy which will be a part of the course on Instrumental Analysis taught annually for undergraduate students.