Theoretical studies on electronic structures, spectra and charge transporting properties of a series of Pt((CN)-N-Lambda)(2) complexes
文献类型：期刊论文
| 作者 | Li XN ; Wu ZJ ; Liu XJ ; Zhang HJ |
| 刊名 | synthetic metals
 |
| 出版日期 | 2009 |
| 卷号 | 159期号:11页码:1090-1098 |
| 关键词 | DENSITY-FUNCTIONAL THEORY CYCLOMETALATED IRIDIUM COMPLEXES LIGHT-EMITTING-DIODES RHENIUM(I) BIPYRIDINE COMPLEXES EFFECTIVE CORE POTENTIALS BOOLEAN-AND-N PHOTOPHYSICAL PROPERTIES AB-INITIO SPECTROSCOPIC PROPERTIES PLATINUM(II) COMPLEXES |
| ISSN号 | 0379-6779 |
| 通讯作者 | zhang hj |
| 中文摘要 | we report a quantum-chemical study of electronic, optical and charge transporting properties of four platinum (ii) complexes, pt((cn)-n-lambda)(2) ((cn)-n-lambda=phenylpyridine or thiophenepyridine). the lowest-lying absorptions at 442, 440, 447 and 429 nm are all attributed to the mixed transition characters of metal-to-ligand charge transfer (mlct) and ligand-centered (lc) pi - pi(*) transition. while, unexpectedly, the lowest-lying phosphorescent emissions at 663, 660, 675 and 742 nm are mainly from metal-to-ligand charge transfer ((mlct)-m-3) ligand-centered (lc) pi ->pi* transition. ionization potential (ip), electron affinities (ea) and reorganization energy p (lambda(hole/electron)) were obtained to evaluate the charge transfer and balance properties between hole and electron. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000267632500018 |
| 公开日期 | 2010-05-04 |
| 源URL | [http://202.98.16.49/handle/322003/11401]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li XN,Wu ZJ,Liu XJ,et al. Theoretical studies on electronic structures, spectra and charge transporting properties of a series of Pt((CN)-N-Lambda)(2) complexes[J]. synthetic metals,2009,159(11):1090-1098. |
| APA | Li XN,Wu ZJ,Liu XJ,&Zhang HJ.(2009).Theoretical studies on electronic structures, spectra and charge transporting properties of a series of Pt((CN)-N-Lambda)(2) complexes.synthetic metals,159(11),1090-1098. |
| MLA | Li XN,et al."Theoretical studies on electronic structures, spectra and charge transporting properties of a series of Pt((CN)-N-Lambda)(2) complexes".synthetic metals 159.11(2009):1090-1098. |
入库方式： OAI收割
来源：长春应用化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。