Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT

I. M. Dixon; S. Khan; F. Alary; M. Boggio-Pasqua; J.-L. Heully

首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT

【24h】

Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT

机译：使用便宜的基态DFT探测单和双（环金属化）Fe（II）聚吡啶配合物的光物理能力

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The abundance and low toxicity of iron with respect to ruthenium would certainly make it valuable for photophysical applications if one could circumvent its tendency to make high-spin compounds and the kinetic lability of its polypyridine complexes, both related to the presence of low-lying quintet metal-centered excited states. The aim of this study was to probe the photophysical potential of six cyclometallated Fe(II) polypyridine complexes by means of ground state DFT and TDDFT calculations. Quantitative and qualitative indicators were extracted from such calculations and bring us to the conclusion that two complexes should display promising photophysical properties: Fe(NCN)(NNC) and Fe(NNC)_2.

机译：如果人们能够规避其制造高纺化合物的倾向及其多吡啶配合物的动力学不稳定性，这两者都与低五重态的存在有关，那么铁对钌的丰度和低毒性无疑将使其对光物理应用具有重要意义。以金属为中心的激发态。这项研究的目的是通过基态DFT和TDDFT计算来探测六个环金属化的Fe（II）聚吡啶配合物的光物理势。从这些计算中提取了定量和定性指标，使我们得出以下结论：两种配合物应显示出有前途的光物理性质：Fe（NCN）（NNC）和Fe（NNC）_2。

著录项

来源
《Dalton transactions: An international journal of inorganic chemistry》 |2014年第42期|共8页
作者
I. M. Dixon; S. Khan; F. Alary; M. Boggio-Pasqua; J.-L. Heully;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词
Probing; photophysical; capability;

机译：探测;光物理;能力;

相似文献

外文文献
中文文献
专利

1. Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT [J] . I. M. Dixon, S. Khan, F. Alary, Dalton transactions: An international journal of inorganic chemistry . 2014,第42期

机译：使用便宜的基态DFT探测单和双（环金属化）Fe（II）聚吡啶配合物的光物理能力
2. Mono- and dinuclear ruthenium(II) and osmium(II) polypyridine complexes built around spiro-bridged bis(phenanthroline) ligands: Synthesis, electrochemistry, and photophysics [J] . Juris A., Harriman A., Ziessel R., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2000,第16期

机译：围绕螺桥双（菲咯啉）配体构建的单核和双核钌（II）和（II）聚吡啶配合物：合成，电化学和光物理
3. Structure and ultrafast dynamics of the charge-transfer excited state and redox activity of the ground state of mono- and binuclear platinum(II) diimine catecholate and bis-catecholate complexes: A transient absorption, TRIR, DFT, and electrochemical study [J] . Best J., Sazanovich I.V., Adams H., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2010,第21期

机译：单核和双核铂（II）二亚胺邻苯二酚和双邻苯二酚配合物的电荷转移激发态的结构和超快动力学和基态的氧化还原活性：瞬态吸收，TRIR，DFT和电化学研究
4. Luminescent iridium(III) polypyridine PEG complexes: Synthesis, photophysical, and biological properties [C] . Li Steve Po-Yam, Tsai Johnson Lui-Lui, Lo Kenneth Kam-Wing Proceedings of the IEEE 4th International Conference on Nano/Molecular Medicine and Engineering . 2010

机译：发光铱（III）聚吡啶PEG复合物：合成，光物理和生物学性质
5. Spectroscopic and photophysical studies of ruthenium (II) polypyridine complexes entrapped within zeolite-Y. [D] . Bhuiyan, Anwarul Afsar. 1999

机译：包裹在Y型沸石中的钌（II）聚吡啶配合物的光谱和光物理研究。
6. Synthesis and Photophysical and Electrochemical Properties of Functionalized Mono- Bis- and Trisanthracenyl Bridged Ru(II) Bis(22′:6′2″-terpyridine) Charge Transfer Complexes [O] . Adewale O. Adeloye, Peter A. Ajibade -1

机译：官能化的单双和三蒽基桥联的Ru（II）Bis（22：62-terpyridine）电荷转移配合物的合成及其光物理和电化学性质
7. Highlighting the Role of the Medium in DFT Analysis of the Photophysical Properties of Ruthenium(II) Polypyridine-Type Complexes [O] . -1

机译：突出培养基在钌（II）甘氨酸型复合物的光学性质的DFT分析中的作用
8. Resonance Raman and photophysical studies of polypyridine complexes of Ruthenium (II). Report for the period September 1986-January 1990. [R] . Kincaid, J. R. 1990

机译：钌（II）多吡啶配合物的共振拉曼和光物理研究。 1986年9月至1990年1月期间的报告。

Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT

摘要

著录项

相似文献

相关主题

期刊订阅