Theoretical Development of Nonlinear Surface-Selective Spectroscopies of Hydrogen-Bonded Systems

氢键体系非线性表面选择性光谱的理论发展

• 批准号: 0808910
• 负责人: Vladimir Chernyak
• 金额: $ 41万
• 依托单位: Wayne State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-05-15 至 2012-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0808910&HistoricalAwards=false
• 关键词: Theoretical; Development; Nonlinear; Surface; Selective

Vladimir Chernyak of Wayne State University is supported by an award from the Theoretical and Computational Chemistry program for research to develop methods to characterize surface-selective spectroscopic information, particularly for hydrogen-bonded systems. The work is specifically focused on the development of models for ultrafast dynamics of these systems and includes: (i) the development and validation of time-resolved, even-order nonlinear spectroscopic techniques capable of background-free detection of the surface signal; (ii) development of efficient signal processing algorithms; and (iii) development of reduced-dimensionality classical and semi-classical stochastic models for ultrafast dynamics including quantum effects. Hydrogen bonding is one of the fundamental non-covalent interactions that occur in chemistry and biology and is responsible for many unique properties of molecular assemblies. Understanding the general dynamical features of complex hydrogen-bonded systems will help us understand biomolecular systems in general and will also aid in developing new technological applications that rest on an improved understanding of this important chemical interaction. The theoretical approaches and methods for processing experimental data that are being developed in this work are critical for interpreting experiments but may also be extended to other types of studies such as single-molecule spectroscopy, optical fiber communications and light and energy conversion in a variety of technological applications. Chernyak is involving under-represented minority high school students in his research group through a "High School Student Apprentice Program" run by the Detroit Public School System. The work is, thus, having a broader impact both on the development of new technology and on the training of a diverse scientific workforce.

韦恩州立大学的Vladimir Chernyak获得了理论与计算化学项目的奖励，用于研究开发表征表面选择性光谱信息的方法，特别是氢键系统。这项工作特别侧重于这些系统的超快动力学模型的开发，包括：(i)开发和验证能够无背景检测表面信号的时间分辨、偶数阶非线性光谱技术；（ii）开发高效的信号处理算法；(3)包括量子效应在内的超快动力学的降维经典和半经典随机模型的发展。氢键是化学和生物学中最基本的非共价相互作用之一，它决定了分子组合的许多独特性质。了解复杂氢键系统的一般动力学特征将有助于我们总体上理解生物分子系统，也将有助于开发基于对这种重要化学相互作用的更好理解的新技术应用。在这项工作中正在发展的处理实验数据的理论方法和方法对于解释实验至关重要，但也可以扩展到其他类型的研究，如单分子光谱、光纤通信以及各种技术应用中的光和能量转换。切尔尼亚克通过一个由底特律公立学校系统运营的“高中生学徒计划”，在他的研究小组中招募了一些代表性不足的少数族裔高中生。因此，这项工作对新技术的发展和培训多样化的科学工作人员都产生了更广泛的影响。