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.

马尔科姆奇泽姆教授是俄亥俄州州立大学化学系的一名教员，他得到了无机，生物无机和有机化学计划的支持，以开发基于四重结合金属-金属二聚体的桨轮结构基序的网格。 这些扩展组件与氧化还原活性双核金属积木将使用广泛的光谱技术进行研究。本研究计划将探讨薄膜在光电装置上的应用，以及碳/分子/铜结在载流方面的应用。本研究计划的科学驱动力是将信息储存在分子中，使分子可以采用两种具有不同特征的明确定义的状态。感知、发出信号和记录信息的能力都取决于电子对分子刺激的反应。 在这个项目中，混合价态物质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个度量。 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。