Investigation on electron transfer and spectra properties of dimer Ir(Ⅲ)complexes

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户：a574150767

【摘要】

：

　　Monomer Ir(Ⅲ)complexes,which could be used in organic light emitting diode(OLED),have been extensively synthesized and studied in the past few years,with a

【作者】

：

YuWang;Hong-XingZhang;

【机构】

：

Institute of Theoretical Chemistry,Jilin University,Changchun 130023

【出处】

：

第十三届全国计算机化学学会会议

【发表日期】

：

2015年期

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

　　Monomer Ir(Ⅲ)complexes,which could be used in organic light emitting diode(OLED),have been extensively synthesized and studied in the past few years,with approaches of experiment and theory1-3.Recently,however,the phenomenon of Ir(Ⅲ)complexes aggregation has been discovered a different optical and electrical properties from the monomer ones4.

其他文献

Photodissociation Dynamics of Phenol:A Full-DimensionalSemiclassical Simulation

　　The O-H bond fission is the main radiationless deactivation pathway of phenol under UV light1.Two conical intersections or avoided crossings of the potentia

会议

Pacman Mechanism and Triggering Behavior Controlled Kinetics inMetal Nanoparticle Catalyzed Cutting

会议

Pd(Ⅱ)/β分子筛催化甲醇氧化羰基化反应机理的理论模拟研究

　　碳酸二甲酯(DMC)是一种重要的化工中间体，可以作为汽油、柴油的含氧添加剂取代甲基叔丁基醚的使用。而金属交换的分子筛催化剂，能够有效地避免Cl流失等问题。本文利用量子

会议

分子筛催化剂甲醇氧化羰基化反应机理理论量子化学方法甲基叔丁基醚碳酸二甲酯化工中间体

N-混杂卟啉衍生物的合成及电化学性能的研究

　　N-混杂卟啉作为卟啉的一类同分异构体,是由卟啉中的一个吡咯环被翻转后而得到,因此 N-混杂卟啉与卟啉一样,都因其18π电子的大环共轭体系而具有芳香性,此外,N-混杂卟啉还

会议

卟啉衍生物合成阴离子传感器自组装化学阴离子配体同分异构体应用前景生物化学

Multiscale Simulation of Biomolecules

　　We introduce the work of multiscale simulation of biomolecules,including two aspects:(1)QM/MM simulation of spectra of GTP in Ras protein.Ras protein has th

会议

Metabolomic identification of novel biomarkers of nasopharyngeal carcinoma and its potential role in

　　Nasopharyngeal carcinoma is one of the most common malignancies in the south of China.In this study,we adopted a metabolomic method to investigate the metab

会议

Mechanism of Unique Gold-Catalyzed Chemo-and Site-SelectiveC-H Functionalization of Phenols:A DFT St

　　A recent experimental study reveals that the gold-carbenes have an unprecedented chemoand site-selectivity toward the functionalization of C-H bond of pheno

会议

Neutral and Anionic Cis-Trans Isomerization of Maleonitrile and Fumaronitrile:an MS-CASPT2 Study

　　Cis-trans isomerization reactions are optimal candidates for molecular motors and molecular switches.Recently,Shachar et al purposed that by attaching a sin

会议

Mechanisms and Reactivity Differences for Cycloaddition of Anhydride to Alkyne Catalyzed by Palladiu

　　Mechanisms and reactivity differences for the cycloaddition of anhydride to alkyne catalyzed by the palladium and nickel catalysts have been investigated by

会议

Investigation Conformational Changes of Biological MacromoleculesUsing Kinetic Network Models

会议

NetworkConformational Changes

Investigation on electron transfer and spectra properties of dimer Ir(Ⅲ)complexes

与本文相关的学术论文