Delocalization-to-Localization Charge Transition in Divinylthiophene-Bridged Biruthenium Complexes as a Function of Length of the Bridging Chain by Both IR Spectroscopy and Theoretical Investigations

Qian Shu-Li; Le Meng-Lei; Wu Xiao-Hui; Liu Wen-Xia; Yu Ming-Xia; Jin Shan

首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Delocalization-to-Localization Charge Transition in Divinylthiophene-Bridged Biruthenium Complexes as a Function of Length of the Bridging Chain by Both IR Spectroscopy and Theoretical Investigations

【24h】

Delocalization-to-Localization Charge Transition in Divinylthiophene-Bridged Biruthenium Complexes as a Function of Length of the Bridging Chain by Both IR Spectroscopy and Theoretical Investigations

机译：作为桥接链的长度通过IR光谱和理论研究的函数中的分层硫化萘酚桥型甲基己烯复合物的函数

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

A series of biruthenium complexes linked by oligothiophene bridges of variable lengths (4a-4d) have been prepared to probe intramolecular electronic delocalization as a function of the chain length of the bridging ligand. In going from monothiophene to quaterthiophene-bridged biruthenium-vinyl complex radical cations (4a(+)-4d(+)), the transition from a positive charge delocalized state to a localized state is clearly displayed by IR spectroscopy and density functional theory calculations and the bridge contributing to the charge and the unpaired spin density exhibits good linear correlation with the length of the bridging chain. The shortest member 4a(+) displays a charge delocalized mixed-valence property as a result of the strong electronic coupling between two ruthenium termini. In the longest member 4d(+), the charge is nearly fully localized at the bridge and the mixed-valence property disappears. Therefore, for even longer systems, the charge should be exclusively localized on the bridge.

机译：通过可变长度（4A-4D）的低噻吩桥连接的一系列二甲磺酸纤维络合物已经制备以探测分子内电子临床化作为桥接配体的链长的函数。从单噻吩前往季丙烯 - 桥接戊烯 - 乙烯基复合阳离子（4a（+） - 4d（+）），IR光谱和密度泛函理论计算清楚地显示从正电荷将到局部状态的从正电荷分层状态转变为局部状态有助于电荷和未配对的旋转密度的桥接性与桥接链的长度具有良好的线性相关性。最短构件4a（+）显示电荷分层混合价特性，导致两个钌末端之间的强电子耦合。在最长的构件4d（+）中，电荷几乎完全定位在桥梁处，并且混合价特性消失。因此，对于甚至更长的系统，电荷应仅在桥上局部局部地定位。

著录项

来源
《The journal of physical chemistry, C. Nanomaterials and interfaces》 |2019年第25期|共9页
作者
Qian Shu-Li; Le Meng-Lei; Wu Xiao-Hui; Liu Wen-Xia; Yu Ming-Xia; Jin Shan;
展开▼
作者单位

Cent China Normal Univ Coll Chem Key Lab Pesticide &

Chem Biol Minist Educ Wuhan 430079 Hubei Peoples R China;

Cent China Normal Univ Coll Chem Key Lab Pesticide &

Chem Biol Minist Educ Wuhan 430079 Hubei Peoples R China;

Cent China Normal Univ Coll Chem Key Lab Pesticide &

Chem Biol Minist Educ Wuhan 430079 Hubei Peoples R China;

Cent China Normal Univ Coll Chem Key Lab Pesticide &

Chem Biol Minist Educ Wuhan 430079 Hubei Peoples R China;

Cent China Normal Univ Coll Chem Key Lab Pesticide &

Chem Biol Minist Educ Wuhan 430079 Hubei Peoples R China;

Cent China Normal Univ Coll Chem Key Lab Pesticide &

Chem Biol Minist Educ Wuhan 430079 Hubei Peoples R China;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词

相似文献

外文文献
中文文献
专利

1. Delocalization-to-Localization Charge Transition in Divinylthiophene-Bridged Biruthenium Complexes as a Function of Length of the Bridging Chain by Both IR Spectroscopy and Theoretical Investigations [J] . Qian Shu-Li, Le Meng-Lei, Wu Xiao-Hui, The journal of physical chemistry, C. Nanomaterials and interfaces . 2019,第25期

机译：作为桥接链的长度通过IR光谱和理论研究的函数中的分层硫化萘酚桥型甲基己烯复合物的函数
2. Delocalization-to-Localization Charge Transition in Diferrocenyl- Oligothienylene-Vinylene Molecular Wires as a Function of the Size by Raman Spectroscopy [J] . Sandra Rodriguez Gonzalez, M. Carmen Ruiz Delgado, Ruben Caballero, Journal of the American Chemical Society . 2012,第12期

机译：二茂铁基-亚杂环戊烯基-亚乙烯基分子线的离域到局域电荷跃迁与拉曼光谱的大小关系
3. Ligand-to-ligand charge-transfer transitions of platinum(II) complexes with arylacetylide ligands with different chain lengths: Spectroscopic characterization, effect of molecular conformations, and density functional theory calculations [J] . Tong G.S.M., Law Y.-C., Kui S.C.F., Chemistry: A European journal . 2010,第22期

机译：铂（II）与具有不同链长的芳基乙炔配体的配体到配体的电荷转移跃迁：光谱表征，分子构象效应和密度泛函理论计算
4. Probing metal-to-ligand charge transfer transitions in ruthenium complexes by quantitative two-photon absorption spectroscopy [C] . Charles W. Stark, Matt Rammo, Juri Pahapill, Conference on organic photonic materials and devices . 2018

机译：用定量双光子吸收光谱法探测钌配合物中金属到配体的电荷转移跃迁
5. Density functional theory for the investigation of transition metal complexes: Structure, binding, and spectroscopy of metal-siderophores and the catalase-peroxidase enzyme. [D] . Kruft, Bonnie I. 2015

机译：用于研究过渡金属配合物的密度泛函理论：金属-铁载体和过氧化氢酶-过氧化物酶的结构，结合和光谱。
6. Theoretical IR Spectroscopy Based on QM/MM Calculations Provides Changes in Charge Distribution Bond Lengths and Bond Angles of the GTP Ligand Induced by the Ras-Protein [O] . Marco Klähn, Jürgen Schlitter, Klaus Gerwert 2005

机译：基于QM / MM计算的理论红外光谱提供了Ras蛋白诱导的GTP配体电荷分布键长和键角的变化
7. 1, 2-Bis (diphenylphosphino) etane bridged dinuclear copper (I) complexes: Investigations of solid state and solution structures by CP/MAS31P NMR spectroscopy, X-ray crystallography, IR spectroscopy and solution 31P NMR and 63Cu NMR spectroscopy [O] . Vijatashree N, Samuelson AG, Nethaji M 1993

机译：1，2-双（二苯基膦基）乙烷桥接的双核铜（I）配合物：通过CP / MAS31P NMR光谱，X射线晶体学，IR光谱和溶液31P NMR和63Cu NMR光谱研究固态和溶液结构
8. Two Band Model for Halogen-Bridged Transition Metal Linear Chain Complexes [R] . Bishop, A. R. , Gammel, J. T. , Loh, E. Y. , 1988

机译：卤素桥过渡金属线性链配合物的双谱模型

Delocalization-to-Localization Charge Transition in Divinylthiophene-Bridged Biruthenium Complexes as a Function of Length of the Bridging Chain by Both IR Spectroscopy and Theoretical Investigations

摘要

著录项

相似文献

相关主题

期刊订阅