Towards Molecular Infomatics Based on Electronically-Coupled MM Units ( M = Mo or W)

基于电子耦合 MM 单元（M = Mo 或 W）的分子信息学

• 批准号: 0515835
• 负责人: Malcolm Chisholm
• 金额: --
• 依托单位: Ohio State University Research Foundation -DO NOT USE
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-09-01 至 2009-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0515835&HistoricalAwards=false
• 关键词: Towards; Molecular; Infomatics; Based; Electronically

Professor Malcom Chisholm, a faculty member in the Department of Chemistry at Ohio State University, is supported by the Inorganic, Bioinorganic and Organometallic Chemistry Program to develop grids based on the paddle wheel structural motif of quadruply bound metal-metal dimers. These extended assemblies with redox active dinuclear metal building blocks will be investigated using a wide range of spectroscopic techniques. Thin film applications for electo-optic devices and carbon/molecule/copper junctions for carrying current will be explored.The storage of information in molecules that can adopt two well-defined states with different characteristics is a science driver for this research plan. The ability to sense, signal and record information all hinge on electronic responses to molecular stimuli. In this project the distribution of electron density for mixed valence species and delocalization of charge will be assessed as one measure of the extent of electronic coupling. Extensive collaborations provide a breadth of research experiences for students involved in these studies.

俄亥俄州立大学化学系的教职员工马尔科姆·奇什尔姆（Malcom Chisholm）教授得到了无机，生物促和有机金属化学计划的支持，旨在根据四倍体绑定的金属金属二聚体的桨轮结构图案开发网格。 这些具有氧化还原主动型金属构建块的扩展组件将使用多种光谱技术进行研究。将探索用于选举设备的薄膜应用以及用于携带电流的碳/分子/铜连接处。分子中的信息存储可以采用两个具有不同特征的良好定义状态，这是该研究计划的科学驱动力。感知，信号和记录信息的能力均取决于对分子刺激的电子响应。 在该项目中，混合价物种的电子密度分布和电荷的离域将被评估为电子耦合程度的一种量度。 广泛的合作为参与这些研究的学生提供了广泛的研究经验。