Electronic structural, spectroscopic and electrochemical aspects of inorganic chemistry

无机化学的电子结构、光谱和电化学方面

• 批准号: 4573-2007
• 负责人: Lever, AlfredBarry
• 金额: $ 3.06万
• 依托单位: York University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2007
• 资助国家: 加拿大
• 起止时间: 2007-01-01 至 2008-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=365632
• 关键词: Electronic; structural; spectroscopic; electrochemical; aspects

The research programme is divided into two general   areas which, however, are interlinked through computation.   The colour of a  chemical compound actually provides a map of its detailed atomic structure through the field of Spectroscopy.  Electrons can be added or removed to generate new species with energies probed by the field of Electrochemistry. Much of our work is devoted to providing the theory which links these two fields. In this fashion, using both electrochemical and spectroscopic data, aided by computation, we can obtain a very detailed understanding of the  structure and reactivity of chemical compounds.  The publication of such linkages enables other researchers to similarly probe and design their own compounds.  The second area probes the chemistry   of a group of species called "phthalocyanines" using electrochemical, spectroscopic and computational techniques. The phthalocyanines are   synthetic pigments related to the pigment which causes the red colour of blood; however they are usually blue or green and do not occur in nature. They are of growing importance in the emerging field of molecular electronics, information storage and chemical sensors etc.

该研究计划分为两个一般 然而，这些领域通过计算相互关联。 化合物的颜色实际上通过光谱学领域提供了其详细的原子结构图。电子可以添加或移除以产生新的物种，其能量由电化学领域探测。我们的大部分工作致力于提供联系这两个领域的理论。通过这种方式，利用电化学和光谱数据，并辅以计算，我们可以获得对化合物结构和反应性的非常详细的了解。这些联系的发表使其他研究人员能够类似地探测和设计自己的化合物。第二个领域探测化学 利用电化学、光谱学和计算技术研究一组被称为“酞菁”的物质。酞菁是 与引起血液红色的色素有关的合成色素;然而，它们通常是蓝色或绿色，并且不存在于自然界中。它们在分子电子学、信息存储和化学传感器等新兴领域中具有越来越重要的作用。