Quantitative Studies of Molecular Dynamics in Solids by Nuclear Magnetic Resonance of Quadrupolar Nuclei

通过四极核核磁共振定量研究固体中的分子动力学

• 批准号: 0713819
• 负责人: Robert Vold
• 金额: --
• 依托单位: College of William and Mary
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-09-01 至 2011-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0713819&HistoricalAwards=false
• 关键词: Quantitative; Studies; Molecular; Dynamics; Solids

In this award, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Profs. Robert L. Vold and Gina Hoatson from the College of William and Mary and their graduate and undergraduate student colleagues will develop models for simulating slow molecular motion to include more realistic motional models, to apply them to experiments that are important for very high magnetic resonance, and to make the dynamic simulation and data fitting procedures easily accessible and freely-available to non-specialists. Parts of this research will also involve collaboration with the X-ray diffraction group of Prof. J. Stezowski at the University of Nebraska.Solid State Nuclear Magnetic Resonance Spectroscopy is a powerful technique that allows scientists to determine the structures and motions of molecules in solids. The work of Prof. Vold, Prof. Hoatson and their research colleagues and research students will enable scientists to study a broader range of materials, and to analyze some of the very slow motions that take place in important classes of materials. In addition to the broader scientific impact of the proposed work, the students being trained in this project will be exposed to unique interdisciplinary research. One product from this research will be a set of software programs that the PIs will freely distribute via their website.

该奖项由化学学部实验物理化学项目资助。William and Mary学院的Robert L. Vold和Gina Hoatson以及他们的研究生和本科生同事将开发模拟慢分子运动的模型，以包括更真实的运动模型，将其应用于对非常高的磁共振非常重要的实验，并使动态模拟和数据拟合程序易于访问和免费提供给非专业人员。这项研究的部分内容还将涉及与内布拉斯加州大学J. Stezowski教授的x射线衍射小组的合作。固体核磁共振波谱是一项强大的技术，它使科学家能够确定固体中分子的结构和运动。Vold教授、Hoatson教授以及他们的研究同事和研究学生的工作将使科学家能够研究更广泛的材料，并分析发生在重要材料类别中的一些非常缓慢的运动。除了拟议工作的更广泛的科学影响外，在这个项目中接受培训的学生将接触到独特的跨学科研究。这项研究的一个产品将是一套软件程序，这些软件程序将通过他们的网站免费发布。