Electronic structural, spectroscopic and electrochemical aspects of inorganic chemistry

研究方案分为两个一般领域，但它们通过计算相互联系。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。电子可以被添加或移除以产生新的物质，其能量由电化学领域探测。我们的大部分工作都致力于提供把这两个领域联系起来的理论。以这种方式，利用电化学和光谱数据，在计算的辅助下，我们可以非常详细地了解化合物的结构和反应性。这种联系的发表使其他研究人员能够类似地探测和设计他们自己的化合物。第二个区域利用电化学、光谱和计算技术探测一组被称为酞菁的物质的化学性质。酞菁是一种合成色素，与导致血液呈红色的色素有关；然而，它们通常是蓝色或绿色的，在自然界中并不存在。它们在分子电子学、信息存储和化学传感器等新兴领域中发挥着越来越重要的作用。

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.