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具有手性有机金属连接体的平面正方形铂配合物的高磷光晶体:同手性与异手性排列、诱导圆二色性及含时密度泛函理论计算

Highly Phosphorescent Crystals of Square-Planar Platinum Complexes with Chiral Organometallic Linkers: Homochiral versus Heterochiral Arrangements, Induced Circular Dichroism, and TD-DFT Calculations.

作者信息

Sesolis Hugo, Dubarle-Offner Julien, Chan Carmen K M, Puig Emmanuel, Gontard Geoffrey, Winter Pierre, Cooksy Andrew L, Yam Vivian W W, Amouri Hani

机构信息

UPMC Paris 06, Institut Parisien de Chimie Moléculaire (IPCM) UMR CNRS 8232, 4 place Jussieu, 75252, Paris cedex 05, France.

Institute of Molecular Functional Materials (Areas of Excellence Scheme, University Grants Committee, Hong Kong) and Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, P. R. China.

出版信息

Chemistry. 2016 Jun 6;22(24):8032-7. doi: 10.1002/chem.201601161. Epub 2016 May 3.

DOI:10.1002/chem.201601161
PMID:27142245
Abstract

A novel class of chiral luminescent square-planar platinum complexes with a π-bonded chiral thioquinonoid ligand is described. Remarkably the presence of this chiral organometallic ligand controls the aggregation of this square planar luminophor and imposes a homo- or hetero-chiral arrangement at the supramolecular level, displaying non-covalent Pt-Pt and π-π interactions. Interestingly these complexes are highly luminescent in the crystalline state and their photophysical properties can be traced to their aggregation in the solid state. A TD-DFT calculation is obtained to rationalize this unique behavior.

摘要

描述了一类新型的具有π键合手性硫代醌类配体的手性发光平面正方形铂配合物。值得注意的是,这种手性有机金属配体的存在控制了这种平面正方形发光体的聚集,并在超分子水平上形成了同手性或异手性排列,显示出非共价的Pt-Pt和π-π相互作用。有趣的是,这些配合物在晶体状态下具有高发光性,其光物理性质可追溯到它们在固态中的聚集。通过TD-DFT计算来解释这种独特行为。

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