有机材料中的光跃迁
Optical Transitions in New Trends Organic Materials
摘要：
PTCDA（3，4，9，10-二萘嵌苯四甲酸二酐）和NTCDA（1，4，5，8-萘嵌苯四甲酸二酐）是芳香族的、稳定的、平面的和高度对称的，具有不寻常的电性质。PTCDA是特别感兴趣的半导体有机晶体，这是由于其用于光电子器件中的优异性质和电子电势，而NTCDA是单斜晶系，并且其空间群与PTCDA的空间群相似。最近，PTCDA和NTCDA的交替层生长形成量子阱的多个结构，显示出具有新的光学线性特性的一类新材料。有些人保证他们的大事业将集中在二极管和可能的波导的建设。我们对PTCDA和NTCDA的电子结构和光学性质进行了半经验计算，结果表明它们是负负载状态（电荷状态= -2）下高度有序的聚合物半导体结构
英文摘要：
The PTCDA (3,4,9,10-Perylene-tetracarboxylic dianhydride) and the NTCDA (1,4,5,8-Naphtalenetetracarboxylic dianhydride) are aromatic, stable, planar and highly symmetric with unusual electrical properties. The PTCDA is a semiconductor organic crystalline of particular interest due to its excellent properties and electronic potential that are used in optoelectronic devices and the NTCDA it is monoclinic and its space group is similar to that of the PTCDA. Recently, alternate layers of PTCDA and NTCDA were growth forming multiple structures of quantum wells showing a new class of materials with new optic lineal properties. Some have assured that their big utilities would be centered in the construction of diodes and of possible guides of waves. We have carried out calculations semi-empirical of the electronic structures and of optic properties of the PTCDA and of the NTCDA that show us that they are structures highly orderly polymeric, semiconductors in a negative load state (charge state= -2)
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