碳菁分子构效关系及其量子化学理论计算  

The Relations Between Carbocyanine Structures and Properties and Its Quantum Chemical Theoretic Calculation

作　　者：雷永林[1] 霍冀川[1] 段小惠[1] 叶旭[1] 孙成才[1] 

机构地区：[1]西南科技大学材料科学与工程学院,绵阳621010

出　　处：《化学进展》2007年第6期878-883,共6页Progress in Chemistry

基　　金：四川省教育厅重点项目(2005A139)资助

摘　　要：本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者对碳菁分子的量子化学计算方法的研究进展。归纳了碳菁分子的量子化学计算的发展方向。The quantum chemical theoretic and experimental studies on the configuration, state of aggregation and carboeyanine molecular structure domino effect of its properties are introduced in this paper. The advances of study in the carboeyanine molecular quantum chemical calculation method are reviewed. The progress direction of the carbocyanine molecular quantum chemical calculation is summed up.

关 键 词：碳菁染料 分子构型 聚集态 构效 量子化学计算 

分 类 号：O641.121[理学—物理化学] TQ614.4[理学—化学]