Luminescence Efficiency of Mesogenic Europium(III) Complexes and their Composites with Polymers According to Quantum-Chemical Simulation
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Published:2022-12-22
Issue:4
Volume:22
Page:6-15
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ISSN:1991-3966
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Container-title:Liquid Crystals and their Application
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language:
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Short-container-title:Liq. Cryst. and their Appl.
Author:
Romanova Kseniya A.ORCID,
Galyametdinov Yuriy G.ORCID
Abstract
The results of quantum-chemical simulation of the molecular structure and excited states of some mesogenic europium(III) (Eu(III)) complexes and liquid-crystalline (LC) (co)polymers are provided. These objects represent the components of currently relevant composites with a hybrid structure, unique optical and magnetic properties for optoelectronic devices. The relationships between the geometric parameters, LC properties, and luminescence efficiency of the mesogenic Eu(III) complexes with &beta-diketones and Lewis bases have been studied. The calculated values of the lowest singlet and triplet excited states were used to determine the channels of inter- and intramolecular energy transfer between the excited levels of polymers and Eu(III) complexes. The data of quantum-chemical simulation allowed to select components for the subsequent synthesis and creation of effective optoelectronic materials.
Publisher
Ivanovo State University
Subject
Materials Chemistry,Surfaces, Coatings and Films,Materials Science (miscellaneous),Biomaterials,Electronic, Optical and Magnetic Materials