The Center for Chemistry at the Space-Time Limit (CaSTL)

时空极限化学中心（CaSTL）

• 批准号: 0802913
• 负责人: Vartkess Apkarian
• 金额: $ 2000万
• 依托单位: University of California-Irvine
• 依托单位国家: 美国
• 项目类别: Cooperative Agreement
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-08-15 至 2014-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0802913&HistoricalAwards=false
• 关键词: Center; Chemistry; Space; Time; Limit

The UC Irvine Center for Chemical Innovation - Chemistry at the Space-Time Limit (CaSTL) aims to observe and record chemistry in the act, one event at a time, one molecule at a time. By watching single molecules undergo chemical transformation and creating movies of a molecule's atomic and electronic rearrangements, the Center will uncover the inner workings of important chemical reactions. The vibronic dynamics of a molecule upon reduction, the rearrangement of electron density in a molecule as it adsorbs onto a catalytic site, the transfer of electrons through a molecular wire, and the breaking or making of a bond are among the immediate targets of investigation. The Center achieves its goals by pushing the experimental limits of space and time resolution, using a combination of scanning tunneling microscopy and ultrafast nonlinear spectroscopy to attain simultaneous Ångstrom-femtosecond resolution. On the scale of relevance to macro-molecular chemistry (e.g., nanometer-microsecond), scanning probe microscopies combined with time-resolved nonlinear spectroscopy are used to obtain chemically speciated, time-lapse microscopy. The requisite theory, in particular of plasmon-enhanced spectroscopy and time-dependent density functional methods, are developed in parallel to accurately model these processes, to interpret and to design experiments. The enabling science and tools have a common intellectual base and a toolset that can be tuned in sharpness to provide the precision needed to study a wide range of chemical processes with precise joint space-time resolution, from Ångstrom-femtosecond to micrometer-microsecond. The accessibility of time-lapse images of elementary chemical processes will fundamentally change our modes of inquiry, and manipulation of, molecular science and engineering, and could underlie fundamental breakthroughs in a range of fields relying on sub-molecular understanding and manipulation of our world. CaSTL is committed to education at all levels, directly through graduate research and postdoctoral training in these challenging fields of science, and research opportunities to many California high school and community college students, particularly those from under-represented groups. The development of new scientific instruments and computational chemistry packages will be widely disseminated in partnership with the private sector. The Center will also offer an outreach program to students of all ages through a partnership with the Discovery Science Museum in Santa Ana. The very visual nature of the Center's transformative science makes it particularly accessible to the public at large. CaSTL video clips of fundamental chemical processes will be used in classrooms, podcasts and other web-based formats, and broad public science outreach will be enabled through television broadcasts.

加州大学欧文分校化学创新中心-时空限制化学（CaSTL）旨在观察和记录化学行为，一次一个事件，一次一个分子。 通过观看单个分子经历化学转变并制作分子原子和电子重排的电影，该中心将揭示重要化学反应的内部运作方式。还原时分子的电子振动动力学、吸附到催化位点时分子中电子密度的重排、电子通过分子导线的转移以及键的断裂或形成都是直接的研究目标。 该中心通过推动空间和时间分辨率的实验极限来实现其目标，使用扫描隧道显微镜和超快非线性光谱学的组合来实现同步飞秒-飞秒分辨率。在与大分子化学相关的尺度上（例如，纳米-微秒），结合时间分辨非线性光谱学的扫描探针显微术用于获得化学形态的延时显微术。必要的理论，特别是等离子体增强光谱和时间依赖密度泛函方法，并行开发，以准确地模拟这些过程，解释和设计实验。 使能科学和工具有一个共同的知识基础和工具集，可以在锐度上进行调整，以提供研究各种化学过程所需的精度，具有精确的联合时空分辨率，从飞秒到微米。基本化学过程的延时图像的可访问性将从根本上改变我们对分子科学和工程的研究和操作模式，并可能成为依赖于对我们世界的亚分子理解和操作的一系列领域的根本突破的基础。 CaSTL致力于各级教育，直接通过研究生研究和博士后培训，在这些具有挑战性的科学领域，并研究机会，许多加州高中和社区大学的学生，特别是那些来自代表性不足的群体。将与私营部门合作，广泛传播新的科学仪器和计算化学包的开发成果。该中心还将通过与圣安娜的探索科学博物馆合作，为所有年龄段的学生提供外展计划。该中心变革性科学的视觉性质使其特别容易为广大公众所接受。将在教室、播客和其他基于网络的格式中使用基本化学过程的CASTL视频剪辑，并将通过电视广播实现广泛的公共科学宣传。