Deuterium Spin Relaxation and Molecular Motion

氘自旋弛豫和分子运动

• 批准号: 9103376
• 负责人: Gina Hoatson
• 金额: $ 5万
• 依托单位: College of William and Mary
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-03-15 至 1993-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9103376&HistoricalAwards=false
• 关键词: Deuterium; Spin; Relaxation; Molecular; Motion

The research project will focus on the development of experimental techniques for studying nuclear spin relaxation behavior and molecular motion in solid materials of chemical, biological, and technological interest. The main tool of investigation is deuterium nuclear magnetic resonance (NMR), where spin relaxation and lineshape analysis have proven to be extremely powerful techniques for elucidating motion in solids on timescales ranging from microseconds to picoseconds. One aim of the proposed work is to extend the range of systems amenable to slow motion analysis and to invent pulse sequences which are routinely applicable by nonspecialists. A second project involves using molecular dynamics simulations in new ways to interpret spin relaxation data. If successful, this project may provide a new and general method of matching the optimal simulation procedure to the dynamic process of greatest experimental relevance.

该研究项目将重点发展实验技术，用于研究化学、生物和技术兴趣的固体材料中的核自旋弛豫行为和分子运动。研究的主要工具是氘核磁共振（NMR），其中自旋弛豫和线形分析已被证明是在从微秒到皮秒的时间尺度上阐明固体运动的极其强大的技术。提出的工作的一个目的是扩大系统适用于慢动作分析的范围，并发明脉冲序列，这是非专业人员常规适用。第二个项目涉及以新的方式使用分子动力学模拟来解释自旋弛豫数据。如果成功，该项目可能提供一种新的和通用的方法来匹配最优的模拟程序与最大的实验相关性的动态过程。