On the design of atropisomer-separable photochromic diarylethene-based metal-organic framework linkers

Cox Jordan M.; Walton Ian M.; Benedict Jason B.

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On the design of atropisomer-separable photochromic diarylethene-based metal-organic framework linkers

机译：基于对映异构体可分离的光致变色二芳基乙烯基金属-有机骨架连接体的设计

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The relative stability and accessibility of atropisomers plays a prominent role in the efficacy of diarylethene-based photochromic materials. Herein, DFT methods, using the omega B97XD functional and a 6-31G(d) basis, are employed to determine the local energetic minima and maxima which describe the rotation of a thiophene group in derivatives of 9,10-bis(2-methyl-5-pheylthiophen-3-yl) phenanthrene-2,7-dicarboxylic acid, a photochromic linker molecule which exhibits atropisomer-formation-related fatigue when incorporated into a metal-organic framework. Results of these potential energy surface mapping calculations as well as their applications to atropisomer separability are discussed.

机译：阻转异构体的相对稳定性和可及性在基于二芳基乙烯的光致变色材料的功效中起着重要作用。在这里，使用欧米茄B97XD功能和6-31G（d）为基础的DFT方法，用于确定描述9,10-双（2-甲基）衍生物中噻吩基团旋转的局部高能最小值和最大值-5--2-噻吩噻吩-3-基菲-2,7-二羧酸，一种光致变色的连接分子，当掺入金属有机骨架时会表现出与阻转异构体形成有关的疲劳。讨论了这些势能面映射计算的结果及其在阻转异构体可分离性中的应用。

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《Journal of Materials Chemistry, C. materials for optical and electronic devices》 |2016年第18期|共6页
作者
Cox Jordan M.; Walton Ian M.; Benedict Jason B.;
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中图分类物理化学（理论化学）、化学物理学;
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1. On the design of atropisomer-separable photochromic diarylethene-based metal-organic framework linkers [J] . Cox Jordan M., Walton Ian M., Benedict Jason B. Journal of Materials Chemistry, C. materials for optical and electronic devices . 2016,第18期

机译：基于对映异构体可分离的光致变色二芳基乙烯基金属-有机骨架连接体的设计
2. Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal-organic framework [J] . Walton Ian M., Cox Jordan M., Mitchell Travis B., CrystEngComm . 2016,第41期

机译：吡啶基菲二芳基乙烯金属-有机骨架中对去溶剂化的结构响应
3. The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal-organic frameworks [J] . Walton Ian M., Cox Jordan M., Benson Cassidy A., New Journal of Chemistry . 2016,第1期

机译：阻转异构体对基于二芳基乙烯的金属有机骨架的光反应性和疲劳的作用
4. DESIGN AND SYNTHESIS OF RIGID METAL-ORGANIC FRAMEWORKS USING EXPANDED PORPHYRIN AS ORGANIC LINKER AND 4,4’-BIPYRIDINE AS PILLAR [C] . Salinthip Laolroekkait, Duanggamol Nuntasri, Buncha Pulpoka National Meeting Exhibition . 2013

机译：使用膨胀卟啉作为有机接头和4,4'-双赖氨酸的刚性金属 - 有机框架的设计与合成柱
5. Solvent Effects in Metal-Organic Framework Activation, Resolvation, Synthesis, and Linker Exchange [D] . Dodson, Ryan Adam. 2021

机译：金属 - 有机骨架活化，腐蚀性，合成和接头交换中的溶剂效应
6. Metal-Organic Frameworks and Self-Assembled Supramolecular Coordination Complexes: Comparing and Contrasting the Design Synthesis and Functionality of Metal-Organic Materials [O] . Timothy R. Cook, Yao-Rong Zheng, Peter J. Stang -1

机译：金属有机骨架和自组装超分子配合物的：比较和对比金属有机材料的设计合成和功能
7. Photochromic 2D Metal-Organic Framework Nanosheets (MONs): Design, Synthesis, and Functional MON-Ormosil Composite [O] . Arindam Mukhopadhyay, Vijay Kumar Maka, Govardhan Savitha, 2018

机译：光致变色2D金属 - 有机框架纳米片（MONS）：设计，合成和功能性Mon-Ormosil复合材料

On the design of atropisomer-separable photochromic diarylethene-based metal-organic framework linkers

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